SCHEMBL6491801

SCHEMBL6491801

N#Cc1ncccc1Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCSC2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
PIK3CA P42336 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL6810296 0.86 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL6501374 0.86 PIK3CA (0.36) HTR2CHTR2AHTR2BPIK3CAPIK3CD
SCHEMBL6810240 0.86 HTR2C (0.33) HTR2CHTR2AHTR2BCHEK1
SCHEMBL6491524 0.84 CHEK1 (0.36) HTR2CHTR2AHTR2BCHEK1
SCHEMBL6492147 0.84 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL6492810 0.80 HTR2C (0.42) HTR2CHTR2AHTR2B
SCHEMBL1842723 0.78 CHEK1 (0.32) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL6502084 0.77 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL6501819 0.77 HTR2C (0.38) HTR2CHTR2AHTR2B
SCHEMBL6490255 0.77 HTR2C (0.44) HTR2CHTR2AHTR2B

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-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885

“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.