SCHEMBL6263602

SCHEMBL6263602

c1ccc2c(N3CCNCC3)cncc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.66
HTR6 P50406 5/20 0.65
NCF1 P14598 4/20 0.65
HTR3E A5X5Y0 1/20 0.65
HTR3B O95264 1/20 0.65
CYP1A2 P05177 1/20 0.65
HTR1A P08908 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
HTR1D P28221 1/20 0.65
HTR1B P28222 1/20 0.65
HTR2A P28223 1/20 0.65
HTR7 P34969 1/20 0.65
MTOR P42345 1/20 0.65
HTR3A P46098 1/20 0.65
HTR5A P47898 1/20 0.65
HTR3D Q70Z44 1/20 0.65
HTR3C Q8WXA8 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL6359045 0.94 CYP11B1 (0.60) CYP11B1HTR6NCF1HTR3EHTR3B
SCHEMBL31342013 0.83 CYP11B1 (0.72) CYP11B1NCF1KDM4EHPGDCYP11B2
SCHEMBL2420958 0.81 CYP2D6 (0.66) HTR6NCF1HTR3EHTR3BCYP1A2
SCHEMBL28033595 0.80 CYP11B1 (0.61) CYP11B1NCF1HTR3EHTR3BHTR3A
SCHEMBL27856065 0.80 CYP11B1 (0.61) CYP11B1HTR6HTR1ANFKB1HTR2A
SCHEMBL5820339 0.80 CYP11B1 (0.67) CYP11B1NCF1KDM4ECYP11B2CDK8
SCHEMBL3166780 0.79 HTR6 (1.00) HTR6NCF1HTR3EHTR3BCYP1A2
SCHEMBL240244 0.79 HTR6 (1.00) HTR6NCF1HTR3EHTR3BCYP1A2
SCHEMBL29385724 0.79 HTR6 (1.00) HTR6NCF1HTR3EHTR3BCYP1A2
Hydrochloric Acid SCHEMBL25379293 0.77 LMNA (1.00) HTR6NCF1HTR3EHTR3BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590329-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2005-11-02 EP disclosed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 WO disclosed
EP-1023296-B1 3-SUBSTITUTED PYRIDO 3',4':4,5] THIENO 2,3-D] PYRIMIDINE DERIVATIVES, AND PRODUCTION AND USE OF THE SAME ABBOTT GMBH & CO KG (DE) 2003-12-17 EP disclosed
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
EP-0988306-B1 3-SUBSTITUTED 3,4 DIHYDRO-THIENO 2, 3-D]PYRIMIDINE DERIVATIVES AND PRODUCTION AND USE OF THE SAME ABBOTT GMBH & CO KG (DE) 2003-07-09 EP disclosed
US-6414157-B1 COMPOUNDS HAVING HIGH AFFINITY FOR 5-HT1B AND 5-HT1C SEROTONIN RECEPTOR; ANTIDEPRESSANTS ABBOTT LABORATORIES 2002-07-02 US disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6355647-B1 INHIBIT THE SEROTONIN REUPTAKE. HYPERPROLACTINEMIA, VASOSPASMS, HYPERTENSION, GASTROINTESTINAL DISORDERS ASSOCIATED WITH MOTILITY AND SECRETION ABBOTT LABORATORIES 2002-03-12 US disclosed
US-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed
EP-1023296-A1 3-SUBSTITUTED PYRIDO 3',4':4,5] THIENO 2,3-D] PYRIMIDINE DERIVATIVES, AND PRODUCTION AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 2000-08-02 EP disclosed
WO-2000041697-A1 UTILISATION OF 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES FOR THE PROPHYLAXIS AND THERAPY OF CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
WO-2000041695-A1 UTILIZATION OF PYRIMIDINE DERIVATIVES FOR PREVENTING AND TREATING CEREBRAL ISCHAEMIA BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
EP-1003752-A1 3-SUBSTITUTED 3,4,5,7-TETRAHYDRO-PYRROLO3',4':4,5 THIENO2,3-DPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS 5HT ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
EP-0988306-A1 3-SUBSTITUTED 3,4 DIHYDRO-THIENO 2, 3-D]PYRIMIDINE DERIVATIVES AND PRODUCTION AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1999021857-A1 3-SUBSTITUTED TETRAHYDROPYRIDOPYRIMIDINONE DERIVATIVES, METHOD FOR PRODUCING THE SAME, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-05-06 WO disclosed
WO-1999020616-A1 2-SUBSTITUTED 1,2-BENZISOTHIAZOLE DERIVATIVES AND THEIR USE AS SEROTONIN ANTAGONISTS (5-HT1A, 5-HT1B AND 5-HT1D) BASF AKTIENGESELLSCHAFT (DE) 1999-04-29 WO disclosed
WO-1999007711-A1 3-SUBSTITUTED 3,4,5,7-TETRAHYDRO-PYRROLO3',4':4,5 THIENO2,3-DPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND USE AS 5HT ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
WO-1998056793-A1 3-SUBSTITUTED PYRIDO [3',4':4,5] THIENO [2,3-D] PYRIMIDINE DERIVATIVES, AND PRODUCTION AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
WO-1998056792-A1 3-SUBSTITUTED 3,4 DIHYDRO-THIENO[2, 3-D]PYRIMIDINE DERIVATIVES AND PRODUCTION AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 1998-12-17 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 (1 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT CYP11B1 137/4885HTR6 3115/4885NCF1 433/4885

“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.