SCHEMBL1299529

SCHEMBL1299529

O=C(c1ccc(-c2ccccc2)nc1)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 14/20 0.66
POLB P06746 2/20 0.50
KDM4E B2RXH2 2/20 0.49
GHSR Q92847 1/20 0.49

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
SCHEMBL7902550 0.91 HTR2B (0.79) HTR2B
SCHEMBL1299920 0.89 HTR2B (0.81) HTR2B
SCHEMBL1299373 0.89 HTR2B (0.83) HTR2BPOLBKDM4E
SCHEMBL1299672 0.89 HTR2B (0.83) HTR2BPOLBKDM4E
SCHEMBL1298694 0.89 HTR2B (0.83) HTR2BPOLBKDM4E
SCHEMBL739141 0.86 HTR2B (0.71) HTR2BPOLBKDM4E
SCHEMBL1299683 0.83 HTR2B (0.87) HTR2B
SCHEMBL2520100 0.81 HTR2B (0.61) HTR2BPOLBKDM4E
SCHEMBL2514536 0.81 HTR2B (0.61) HTR2BPOLBKDM4E
SCHEMBL742415 0.81 HTR2B (0.61) HTR2BPOLBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609696-B2 Serotonin 5-HT2B receptor inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-17 US disclosed
US-20110269742-A1 Serotonin 5-HT2B Receptor Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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-20110269742-A1 Serotonin 5-HT2B Receptor Inhibitors HTR2B, HTR1B, HTR3B HTR2B 1/4885POLB 1095/4885KDM4E 3720/4885

“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.