SCHEMBL2551704

SCHEMBL2551704

NCc1ccc(Br)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.48
PYCR1 P32322 1/20 0.46
CCR5 P51681 1/20 0.45
CYP2A6 P11509 1/20 0.44
DPP4 P27487 1/20 0.38
IDO1 P14902 3/20 0.36
HTR2A P28223 2/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
Hydrochloric Acid SCHEMBL967997 0.98 PNMT (0.46) PNMTPYCR1CCR5CYP2A6DPP4
SCHEMBL32689207 0.83 TAAR1 (0.52) PNMTPYCR1HTR2ATRPM8
SCHEMBL1569794 0.83 TAAR1 (0.52) PNMTPYCR1HTR2ATRPM8
SCHEMBL1758977 0.82 CCR5 (0.49) PNMTPYCR1CCR5CYP2A6DPP4
Hydrochloric Acid SCHEMBL16760260 0.81 TAAR1 (0.50) PNMTPYCR1IDO1HTR2AMAPK1
Hydrochloric Acid SCHEMBL2521289 0.80 CCR5 (0.47) PNMTPYCR1CCR5CYP2A6DPP4
SCHEMBL30345107 0.79 PYCR1 (0.47) PYCR1IDO1HTR2ASLC6A4KCNH2
SCHEMBL307792 0.79 PYCR1 (0.47) PYCR1IDO1HTR2ASLC6A4KCNH2
SCHEMBL6299216 0.79 PYCR1 (0.47) PYCR1IDO1HTR2ASLC6A4KCNH2
SCHEMBL3390800 0.78 CYP2A6 (0.48) CCR5CYP2A6HTR2AMAPK1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
EP-4618985-A1 DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN Universitat De Barcelona (ES) 2025-09-24 EP disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
US-20250170248-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-29 US disclosed
US-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-03-04 US disclosed
CN-119306679-A Nitrogen-containing heterocyclic skeleton compound, preparation method and application thereof 中国科学院上海药物研究所 2025-01-14 CN disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024105234-A1 DUAL INHIBITORS OF SIGMA-1 RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE AND THEIR USE IN THE TREATMENT OF PAIN UNIVERSITAT DE BARCELONA (ES) 2024-05-23 WO disclosed
EP-4363425-A1 SMARCA DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-05-08 EP disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
WO-2009049157-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009049157-A1 NOVEL SEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2008008539-A2 FUSED HETEROCYCLIC DERIVATIVES USEFUL AS INHIBITORS OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR AMGEN INC. (US) 2008-01-17 WO disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 WO 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 (5 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 PNMT 2412/4885PYCR1 3412/4885CCR5 1538/4885
US-12240838-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN PNMT 3006/4885PYCR1 3474/4885CCR5 3491/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET PNMT 2633/4885PYCR1 2284/4885CCR5 181/4885
US-20250170248-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 PNMT 1247/4885PYCR1 1942/4885CCR5 3363/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 PNMT 781/4885PYCR1 2912/4885CCR5 418/4885

“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.