SCHEMBL6500335

SCHEMBL6500335

Cc1cc(C#N)ccc1-c1cc2c3c(c1)[C@@H]1CNCC[C@@H]1N3CCOC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.46
HTR2A P28223 4/20 0.46
HTR2B P41595 3/20 0.46
EGLN1 Q9GZT9 2/20 0.33
FASN P49327 7/20 0.33
KDM1A O60341 3/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 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
SCHEMBL5410501 0.87 HTR2C (0.59) HTR2CHTR2AHTR2BFASNKDM1A
SCHEMBL5847768 0.87 HTR2C (0.59) HTR2CHTR2AHTR2BFASNKDM1A
SCHEMBL6783218 0.86 HTR2C (0.59) HTR2CHTR2AHTR2BFASN
SCHEMBL6501724 0.86 HTR2C (0.59) HTR2CHTR2AHTR2BFASN
SCHEMBL6502027 0.86 HTR2C (0.45) HTR2CHTR2AHTR2B
SCHEMBL6499578 0.86 HTR2C (0.46) HTR2CHTR2AHTR2BEGLN1KDM1A
SCHEMBL5410487 0.86 HTR2C (0.56) HTR2CHTR2AHTR2BFASNKDM1A
SCHEMBL6499121 0.84 HTR2C (0.43) HTR2CHTR2AHTR2BFASNKDM1A
SCHEMBL6779762 0.83 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL6502225 0.80 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 4 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
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.