SCHEMBL1620449

SCHEMBL1620449

c1ccc(C2(c3nc4c(c(N5CCCC5)n3)CCNCC4)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.48
HTR2B P41595 4/20 0.48
HTR2A P28223 5/20 0.47
HSD11B1 P28845 4/20 0.38
OPRM1 P35372 1/20 0.38
HRH4 Q9H3N8 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B2 P80365 3/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL1622370 0.91 HTR2C (0.60) HTR2CHTR2BHTR2AOPRM1ALDH1A1
SCHEMBL1622130 0.76 HTR2C (0.57) HTR2CHTR2BHTR2AOPRM1
SCHEMBL1622483 0.73 HTR2C (0.80) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL1622003 0.72 HTR2C (0.79) HTR2CHTR2BHTR2A
SCHEMBL1622629 0.71 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL1628110 0.70 HTR2C (0.55) HTR2CHTR2BHTR2A
SCHEMBL1622256 0.69 HTR2C (0.52) HTR2CHTR2BHTR2AOPRM1
SCHEMBL1621129 0.69 MTOR (0.48) USP2TSHR
SCHEMBL23973005 0.68 HTR2C (0.54) HTR2CHTR2BHTR2AOPRM1ALDH1A1
Hydrochloric Acid SCHEMBL26602843 0.67 HTR2C (0.53) HTR2CHTR2BHTR2AOPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 US disclosed
EP-2139896-A1 PYRIMIDO [4, 5-D]AZEPINE DERIVATIVES AS 5-HT2C AGONISTS Pfizer Limited (GB) 2010-01-06 EP disclosed
WO-2008117169-A1 PYRIMIDO [4, 5-D] AZEPINE DERIVATIVES AS 5-HT2C AGONISTS PFIZER LIMITED (GB) 2008-10-02 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-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 4/4885HTR2A 2/4885

“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.