SCHEMBL334979

SCHEMBL334979

C[C@H](N)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
ACP3 P15309 1/20 0.43
HSD11B1 P28845 3/20 0.42
MC4R P32245 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
PNMT P11086 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
CNR2 P34972 1/20 0.39
MPO P05164 1/20 0.39

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
SCHEMBL1727762 1.00 P2RX7 (0.47) P2RX7ACP3HSD11B1MC4RALDH1A1
SCHEMBL29808963 1.00 P2RX7 (0.47) P2RX7ACP3HSD11B1MC4RALDH1A1
SCHEMBL30303206 1.00 P2RX7 (0.47) P2RX7ACP3HSD11B1MC4RALDH1A1
SCHEMBL1258401 1.00 P2RX7 (0.47) P2RX7ACP3HSD11B1MC4RALDH1A1
Hydrochloric Acid SCHEMBL6946309 0.98 P2RX7 (0.46) P2RX7ACP3HSD11B1MC4RALDH1A1
Hydrochloric Acid SCHEMBL30509630 0.98 P2RX7 (0.46) P2RX7ACP3HSD11B1MC4RALDH1A1
Iodide SCHEMBL28932199 0.98 P2RX7 (0.46) P2RX7ACP3HSD11B1MC4RALDH1A1
Hydrochloric Acid SCHEMBL17476760 0.98 P2RX7 (0.46) P2RX7ACP3HSD11B1MC4RALDH1A1
Acetic Acid SCHEMBL10562657 0.89 ACP3 (0.47) P2RX7ACP3HSD11B1ALDH1A1CYP1A2
SCHEMBL1729214 0.83 MC4R (0.42) P2RX7ACP3HSD11B1MC4RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744664-A2 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2026-05-20 EP disclosed
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2024-11-21 US disclosed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 US disclosed
CN-109384729-B Pyrimidinedione compounds for cardiac disorders 迈奥卡迪亚公司 2023-06-30 CN disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US disclosed
CN-115820592-A Omega-transaminase mutant and application thereof 浙江工业大学 2023-03-21 CN disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 US disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 US disclosed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 US disclosed
EP-2036881-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-(FLUORO-, TRIFLUOROMETHYL- OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVE Central Glass Co., Ltd. (JP) 2009-03-18 EP disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
US-7368609-B2 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-06 US disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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

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

For each of this compound's patents that has machine-readable text (8 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-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD P2RX7 1399/4885ACP3 4098/4885HSD11B1 1725/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 P2RX7 2270/4885ACP3 4285/4885HSD11B1 722/4885
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD P2RX7 1399/4885ACP3 4098/4885HSD11B1 1725/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 P2RX7 2335/4885ACP3 4173/4885HSD11B1 1675/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT P2RX7 2226/4885ACP3 4131/4885HSD11B1 588/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD P2RX7 1399/4885ACP3 4098/4885HSD11B1 1725/4885
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR P2RX7 483/4885ACP3 722/4885HSD11B1 1054/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD P2RX7 1399/4885ACP3 4098/4885HSD11B1 1725/4885

“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.