SCHEMBL1622249

SCHEMBL1622249

c1ccc(CCNc2ncc3c(n2)CCNCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.66
HTR2A P28223 2/20 0.59
HTR6 P50406 2/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
HTR3A P46098 1/20 0.59
HTR2B P41595 12/20 0.46
CETP P11597 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1D P28221 1/20 0.44
HTR7 P34969 1/20 0.44
HTR5A P47898 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL1620340 0.88 HTR2C (0.63) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL1623914 0.83 HTR2C (0.62) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL1624015 0.80 HTR2C (1.00) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL14990749 0.77 CDK5 (0.71) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL1620274 0.74 HTR2C (1.00) HTR2CHTR2AHTR6CHRM4CHRM5
Hydrochloric Acid SCHEMBL1622319 0.73 HTR2C (0.97) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL12497252 0.70 HTR2C (0.46) HTR2CHTR2AHTR6CHRM4CHRM5
SCHEMBL1623643 0.69 HTR2C (0.66) HTR2CHTR2AHTR6HTR2BCETP
SCHEMBL847524 0.69 HRH4 (0.73) HTR2CHTR2AHTR6HTR2BCETP
SCHEMBL1622742 0.69 HTR2C (0.59) HTR2CHTR2AHTR6CHRM4CHRM5

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 1/4885HTR2A 2/4885HTR6 24/4885

“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.