SCHEMBL1620536

SCHEMBL1620536

CNc1nc(N2CCSCC2)nc2c1CCNCC2

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.72
HTR2C P28335 10/20 0.48
HTR2B P41595 3/20 0.43
ADRB2 P07550 1/20 0.43
HTR1B P28222 1/20 0.43
IGF1R P08069 4/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL1623082 0.82 HTR2A (0.56) HTR2AHTR2CHTR2BTRPV1
SCHEMBL1622748 0.80 HTR2A (0.82) HTR2AHTR2CHTR2BTRPV1
SCHEMBL11286718 0.79 HTR2A (0.65) HTR2AHTR2CIGF1R
SCHEMBL11279746 0.79 HTR2A (0.65) HTR2AHTR2CIGF1R
SCHEMBL1628359 0.77 HTR2A (0.77) HTR2AHTR2CHTR2B
SCHEMBL1623648 0.76 HTR2C (0.57) HTR2AHTR2CHTR2B
SCHEMBL12719536 0.75 HTR2A (0.73) HTR2AHTR2CHTR2B
SCHEMBL1621335 0.74 HTR2A (0.59) HTR2AHTR2CHTR2B
SCHEMBL1623093 0.72 HTR2C (0.53) HTR2AHTR2CHTR2B
SCHEMBL11102793 0.69 HTR2A (0.47) HTR2AHTR2CIGF1R

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 6 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

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 HTR2A 2/4885HTR2C 1/4885HTR2B 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.