SCHEMBL1727474

SCHEMBL1727474

CC[C@H](N)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.38
MC4R P32245 3/20 0.37
PSIP1 O75475 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL1728822 1.00 IDO1 (0.40) IDO1TDO2L3MBTL1TSHRMC4R
SCHEMBL30682632 1.00 IDO1 (0.40) IDO1TDO2L3MBTL1TSHRMC4R
SCHEMBL5205809 1.00 IDO1 (0.40) IDO1TDO2L3MBTL1TSHRMC4R
SCHEMBL30682733 1.00 IDO1 (0.40) IDO1TDO2L3MBTL1TSHRMC4R
SCHEMBL30682588 1.00 IDO1 (0.40) IDO1TDO2L3MBTL1TSHRMC4R
Hydrochloric Acid SCHEMBL20238472 0.98 IDO1 (0.43) IDO1TDO2L3MBTL1TSHRMC4R
Hydrochloric Acid SCHEMBL29668919 0.98 IDO1 (0.43) IDO1TDO2L3MBTL1TSHRMC4R
Hydrochloric Acid SCHEMBL20238473 0.98 IDO1 (0.43) IDO1TDO2L3MBTL1TSHRMC4R
SCHEMBL3678678 0.84 TSHR (0.44) TSHR
SCHEMBL30682599 0.83 CFD (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420667-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-16 US claimed
EP-2513061-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2012-10-24 EP claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US claimed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US claimed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP claimed
WO-2009130240-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-10-29 WO claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US claimed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO claimed
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-08-22 US disclosed
US-11987597-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-03-07 US disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
CN-110325531-A Benzsulfamide and its purposes as therapeutic agent 泽农医药公司 2019-10-11 CN disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO 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-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-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 (7 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 IDO1 969/4885TDO2 3578/4885L3MBTL1 4591/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 IDO1 362/4885TDO2 262/4885L3MBTL1 2155/4885
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA IDO1 1754/4885TDO2 4471/4885L3MBTL1 3507/4885
US-11987597-B2 Modulators of TNF-α activity TNF, TNFRSF1A, NFKBIA IDO1 1679/4885TDO2 4371/4885L3MBTL1 3756/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT IDO1 626/4885TDO2 405/4885L3MBTL1 2268/4885
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA IDO1 1754/4885TDO2 4471/4885L3MBTL1 3507/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA IDO1 1754/4885TDO2 4471/4885L3MBTL1 3507/4885

“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.