SCHEMBL6493041

SCHEMBL6493041

CCOc1nc(C(F)(F)F)ccc1Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
KCNK3 O14649 2/20 0.31
MAPKAPK2 P49137 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
SCHEMBL6810585 0.90 HTR2C (0.33) HTR2CHTR2AHTR2BMAPKAPK2
SCHEMBL6503521 0.87 PDE4D (0.35) HTR2CHTR2AHTR2BMAPKAPK2
SCHEMBL6493947 0.87 HTR2A (0.36) HTR2CHTR2AHTR2B
SCHEMBL6806051 0.86 HCRTR1 (0.34) HTR2CHTR2AHTR2BMAPKAPK2
SCHEMBL6810852 0.83 HTR2C (0.32) HTR2CHTR2AHTR2B
SCHEMBL6491509 0.83 HTR2A (0.37) HTR2CHTR2AHTR2B
SCHEMBL6502965 0.81 HTR2A (0.36) HTR2CHTR2AHTR2B
SCHEMBL6490078 0.80 HTR2C (0.33) HTR2CHTR2AHTR2B
SCHEMBL6783931 0.79 HTR2C (0.42) HTR2CHTR2AHTR2B
SCHEMBL6491130 0.78 HTR2C (0.34) HTR2CHTR2AHTR2BMAPKAPK2

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.