SCHEMBL1623914

SCHEMBL1623914

Clc1ccccc1CCNc1ncc2c(n1)CCNCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.62
HTR2B P41595 13/20 0.62
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTR2A P28223 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR3A P46098 1/20 0.45
HTR6 P50406 1/20 0.45
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKCQ Q04759 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1622249 0.83 HTR2C (0.66) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL1622371 0.77 HTR2C (1.00) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1620340 0.76 HTR2C (0.63) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL12719900 0.73 MAPT (0.49) HDAC3HDAC1HDAC2HDAC6
SCHEMBL2802006 0.73 HDAC3 (0.42) HTR2CHTR2BHDAC3HDAC1HDAC2
SCHEMBL14990749 0.71 CDK5 (0.71) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1185989 0.69 KDR (0.67)
SCHEMBL12497252 0.67 HTR2C (0.46) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL15358312 0.67 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6
SCHEMBL1622667 0.66 HTR2C (0.79) HTR2CHTR2BHTR2ACHRM4CHRM5

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 4/4885HDAC3 2258/4885

“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.