SCHEMBL6488159

SCHEMBL6488159

Fc1ccc2c3c1c1c(n3CC2)CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.61
HTR2A P28223 12/20 0.43
HTR2B P41595 5/20 0.43
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR7 P34969 1/20 0.30
HTR3A P46098 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL5740214 0.85 HTR2C (0.81) HTR2CHTR2AHTR2BKDM4EALOX15
SCHEMBL5739168 0.85 HTR2C (0.76) HTR2CHTR2AHTR2BKDM4EALOX15
SCHEMBL6507041 0.82 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL6499399 0.82 HTR2C (0.46) HTR2CHTR2AHTR2BKDM4EALOX15
SCHEMBL6481894 0.82 HTR2C (0.42) HTR2CHTR2AHTR2BKDM4EALOX15
SCHEMBL6495632 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BCYP1A2MAPT
SCHEMBL6851421 0.79 HTR2C (0.42) HTR2CHTR2AHTR2B
SCHEMBL6850455 0.79 HTR2C (0.60) HTR2CHTR2AHTR2BHTR7HTR3A
SCHEMBL6485539 0.78 HTR2C (0.47) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6483958 0.78 HTR2C (0.59) HTR2CHTR2AHTR2BKDM4EALOX15

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040138202-A1 Tetracyclic azepinoindole compounds PHARMACIA AND UPJOHN COMPANY 2004-07-15 US disclosed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US disclosed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 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 (3 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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 HTR2C 22/4885HTR2A 34/4885HTR2B 86/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885HTR2B 184/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885HTR2B 184/4885

“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.