SCHEMBL1620880

SCHEMBL1620880

Fc1ccccc1Cc1ncc2c(n1)CCNCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 1.00
HTR2B P41595 13/20 1.00
HTR2A P28223 2/20 0.67
CHRM4 P08173 1/20 0.67
CHRM5 P08912 1/20 0.67
CHRM1 P11229 1/20 0.67
CHRM3 P20309 1/20 0.67
HTR3A P46098 1/20 0.67
HTR6 P50406 1/20 0.67

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
SCHEMBL1622371 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1622306 0.84 HTR2C (1.00) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1622246 0.84 HTR2C (0.72) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1620274 0.81 HTR2C (1.00) HTR2CHTR2BHTR2ACHRM4CHRM5
Hydrochloric Acid SCHEMBL1622319 0.80 HTR2C (0.97) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1623428 0.78 HTR2C (1.00) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1621843 0.77 HTR2C (1.00) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL18550078 0.76 HTR2C (0.62) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1622667 0.75 HTR2C (0.79) HTR2CHTR2BHTR2ACHRM4CHRM5
SCHEMBL1624015 0.75 HTR2C (1.00) 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 9 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-7928099-B2 Pyrimido [4,5-D] azepine derivatives as 5-HT2c agonists PFIZER INC (US) 2011-04-19 US disclosed
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
US-20100113422-A1 Pyrimido [4,5-D] Azepine Derivatives As 5-HT2C Agonists ANDREWS MARK 2010-05-06 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
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.