SCHEMBL1003465

SCHEMBL1003465

C[C@@H](N)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
PNMT P11086 1/20 0.45
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
HIF1A Q16665 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23139487 1.00 PDE2A (0.48) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL29621462 1.00 PDE2A (0.48) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL29394861 1.00 PDE2A (0.48) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL310968 1.00 PDE2A (0.48) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
SCHEMBL335364 1.00 PDE2A (0.48) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL4226725 0.98 IDO1 (0.47) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL29669123 0.98 IDO1 (0.47) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
Iodide SCHEMBL28964924 0.98 PDE2A (0.47) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
Bromide SCHEMBL28598190 0.98 PDE2A (0.47) PDE2ACYP3A4CYP1A2CYP2D6NFKB1
Hydrochloric Acid SCHEMBL20237990 0.98 IDO1 (0.47) PDE2ACYP3A4CYP1A2CYP2D6NFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN claimed
US-12428416-B2 ERK inhibitors and uses thereof CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-09-30 US disclosed
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR CEREVANCE INC (US) 2025-09-11 US disclosed
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
US-12331068-B2 Compositions and methods for inhibiting CD73 PELOTON THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
EP-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 EP disclosed
WO-2025039979-A1 PROTEIN ARGININE METHYLTRANSFERASE-5 INHIBITOR AND PHARMACEUTICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-02-27 WO disclosed
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-08-22 US disclosed
EP-3810109-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING CD73 PELOTON THERAPEUTICS INC (US) 2024-08-07 EP disclosed
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN disclosed
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain CARROLL WILLIAM A 2007-10-04 US disclosed
US-7241776-B2 Cyanoamidine P2X7 antagonists for the treatment of pain ABBOTT LABORATORIES (US) 2007-07-10 US disclosed
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS CO., LTD. (JP) 2007-06-21 US disclosed
US-7186865-B2 Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain ABBVIE INC. 2006-02-02 US disclosed
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2004-11-25 US disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 PDE2A 1807/4885CYP3A4 145/4885CYP1A2 129/4885
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA PDE2A 479/4885CYP3A4 4340/4885CYP1A2 3906/4885
US-12331068-B2 Compositions and methods for inhibiting CD73 ENTPD5, NT5E, ENTPD1 PDE2A 118/4885CYP3A4 3339/4885CYP1A2 3556/4885
US-20060025614-A1 Cyanoamidine P2X7 antagonists for the treatment of pain P2RX2, P2RX1, P2RX7 PDE2A 1015/4885CYP3A4 2858/4885CYP1A2 1306/4885
US-20070232686-A1 Cyanoamidine P2X7 Antagonists for the Treatment of Pain P2RX2, P2RX1, P2RX7 PDE2A 1015/4885CYP3A4 2858/4885CYP1A2 1306/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT PDE2A 1623/4885CYP3A4 109/4885CYP1A2 99/4885
US-12428416-B2 ERK inhibitors and uses thereof MAPKAPK2, MAPK3, MAP4K2 PDE2A 3343/4885CYP3A4 4372/4885CYP1A2 4354/4885
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR GPR55, GPR68, GPR65 PDE2A 745/4885CYP3A4 429/4885CYP1A2 360/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA PDE2A 479/4885CYP3A4 4340/4885CYP1A2 3906/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.