SCHEMBL6780784

SCHEMBL6780784

CC(Nc1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCSC2)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
BRD4 O60885 2/20 0.32
KCNK3 O14649 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL6493453 0.91 HTR2C (0.40) HTR2CHTR2AHTR2BBRD4
SCHEMBL6501191 0.91 HTR2C (0.40) HTR2CHTR2AHTR2BBRD4
SCHEMBL6490555 0.80 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL6489845 0.78 HTR2C (0.41) HTR2CHTR2AHTR2BNTRK1
SCHEMBL6503116 0.78 HTR2C (0.41) HTR2CHTR2AHTR2BNTRK1
SCHEMBL6492557 0.76 HTR2C (0.49) HTR2CHTR2AHTR2B
SCHEMBL6494215 0.76 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL6785677 0.75 HTR2C (0.41) HTR2CHTR2AHTR2B
SCHEMBL6490255 0.74 HTR2C (0.44) HTR2CHTR2AHTR2B
SCHEMBL6502919 0.74 HTR2C (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (2 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2C 11/4885HTR2A 21/4885HTR2B 5/4885
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.