SCHEMBL6494306

SCHEMBL6494306

O=C(O)N1CC[C@H]2[C@@H](C1)c1cc(Br)cc3c1N2CCOC3

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
RECQL P46063 1/20 0.32
DRD2 P14416 4/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 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
SCHEMBL6490580 0.87 DRD2 (0.34) HTR2AHTR2CDRD2
SCHEMBL6810428 0.87 DRD2 (0.34) HTR2AHTR2CDRD2
SCHEMBL5410739 0.85 HTR2A (0.39) HTR2AHTR2CDRD2
SCHEMBL6812114 0.85 HTR2A (0.39) HTR2AHTR2CDRD2
SCHEMBL5410734 0.85 HTR2A (0.39) HTR2AHTR2CDRD2
SCHEMBL6491628 0.85 USP30 (0.42) HTR2AHTR2CRECQL
SCHEMBL6491629 0.85 USP30 (0.42) HTR2AHTR2CRECQL
SCHEMBL5415814 0.83 HTR2A (0.40) HTR2AHTR2CDRD2
SCHEMBL5407433 0.83 HTR2A (0.40) HTR2AHTR2CDRD2
SCHEMBL6918573 0.83 HTR2A (0.40) HTR2AHTR2CDRD2

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 HTR2A 21/4885HTR2C 11/4885RECQL 2121/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 HTR2A 21/4885HTR2C 11/4885RECQL 2121/4885

“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.