SCHEMBL1622258

SCHEMBL1622258

COc1nc(CCc2cccc(Cl)c2)nc2c1CCNCC2

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.62
HTR2B P41595 8/20 0.53
HTR2A P28223 6/20 0.48
HTR1A P08908 4/20 0.48
DRD2 P14416 4/20 0.48
HTR7 P34969 4/20 0.48
DRD3 P35462 4/20 0.48
HTR6 P50406 4/20 0.48
ADRA1A P35348 1/20 0.38
C5AR1 P21730 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL1622196 0.86 HTR2C (0.60) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1621919 0.79 HTR2C (0.61) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1620484 0.77 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1622353 0.74 HTR2C (0.74) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1622358 0.71 HTR2C (0.79) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1622749 0.71 HTR2C (0.73) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1622904 0.69 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1620840 0.68 HTR2C (0.73) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL1623063 0.68 HTR2C (0.72) HTR2CHTR2BHTR2AHTR1ADRD2
SCHEMBL12719518 0.68 HTR2C (0.70) HTR2CHTR2BHTR2AHTR1ADRD2

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.