SCHEMBL1010752

SCHEMBL1010752

CC1NCCc2ccc(F)cc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.63
HTR2C P28335 2/20 0.63
MAOA P21397 8/20 0.54
DRD2 P14416 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2C9 P11712 1/20 0.54
DRD3 P35462 1/20 0.54
HIF1A Q16665 1/20 0.54
DRD4 P21917 1/20 0.54
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PRCP P42785 1/20 0.46
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HTR2B P41595 1/20 0.40

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
SCHEMBL22680097 1.00 HTR2A (0.63) HTR2AHTR2CMAOADRD2TSHR
SCHEMBL4021920 1.00 HTR2A (0.63) HTR2AHTR2CMAOADRD2TSHR
SCHEMBL30656744 1.00 HTR2A (0.63) HTR2AHTR2CMAOADRD2TSHR
Hydrochloric Acid SCHEMBL30656686 0.98 HTR2A (0.61) HTR2AHTR2CMAOADRD2TSHR
Hydrochloric Acid SCHEMBL29429458 0.98 HTR2A (0.61) HTR2AHTR2CMAOADRD2TSHR
Hydrochloric Acid SCHEMBL28424341 0.98 HTR2A (0.61) HTR2AHTR2CMAOADRD2TSHR
Hydrochloric Acid SCHEMBL29429462 0.98 HTR2A (0.61) HTR2AHTR2CMAOADRD2TSHR
SCHEMBL22680298 0.86 MAOA (0.54) HTR2AHTR2CMAOADRD2TSHR
SCHEMBL22680299 0.86 MAOA (0.54) HTR2AHTR2CMAOADRD2TSHR
SCHEMBL626535 0.86 MAOA (0.54) HTR2AHTR2CMAOADRD2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023029943-A1 AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 星药科技(北京)有限公司 2023-03-09 WO disclosed
EP-3887372-B1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-10-12 EP disclosed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed
EP-1131312-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2005-10-26 EP disclosed
US-6545008-B1 Inhibitory activity against gastric acid secretion YUHAN CORPORATION (KR) 2003-04-08 US disclosed
EP-1131312-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2001-09-12 EP disclosed
EP-1129076-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-05 EP disclosed
WO-2000029403-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2000-05-25 WO disclosed
WO-2000029380-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-05-25 WO disclosed
US-5981521-A USEFUL FOR TREATING VARIOUS HORMONE DEPENDENT DISEASES, INCLUDING PROSTATE CANCER, ENDOMETRIOSIS, UTERINE FIBROIDS, PRECOCIOUS PUBERTY, BENIGN PROSTATE HYPERTROPY AND IN VITRO FERTILIZATION ABBOTT LABORATORIES (US) 1999-11-09 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 (2 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-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H HTR2A 1492/4885HTR2C 599/4885MAOA 2305/4885
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 HTR2A 133/4885HTR2C 50/4885MAOA 3070/4885

“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.