SCHEMBL1620739

SCHEMBL1620739

CC(CO)Nc1nc(Cc2ccccc2)nc2c1CCNCC2

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.71
HTR2A P28223 13/20 0.64
HTR2B P41595 11/20 0.64
HTR6 P50406 6/20 0.64
HTR1A P08908 5/20 0.64
DRD2 P14416 4/20 0.64
HTR7 P34969 4/20 0.64
DRD3 P35462 4/20 0.64
ADRA1A P35348 1/20 0.64
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR3A P46098 1/20 0.46

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
Hydrochloric Acid SCHEMBL1622631 0.99 HTR2C (0.69) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL3725775 0.89 HTR2C (0.68) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL1622621 0.89 HTR2C (0.68) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL1622128 0.89 HTR2C (0.77) HTR2CHTR2AHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL1622244 0.88 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL1620380 0.86 HTR2C (0.67) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL1622009 0.83 HTR2C (1.00) HTR2CHTR2AHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL1621571 0.82 HTR2C (0.97) HTR2CHTR2AHTR2BHTR6HTR1A
SCHEMBL1622741 0.81 HTR2C (0.72) HTR2CHTR2AHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL1623495 0.80 HTR2C (0.70) HTR2CHTR2AHTR2BHTR6HTR1A

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 1/4885HTR2A 2/4885HTR2B 4/4885

“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.