SCHEMBL6498028

SCHEMBL6498028

COC(=O)c1ccc(Nc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)cc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL6492094 0.88 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL6498507 0.87 HTR2C (0.39) HTR2CHTR2AHTR2BALDH1A1JAK2
SCHEMBL6790044 0.85 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6492010 0.81 HTR2C (0.37) HTR2CHTR2AHTR2B
SCHEMBL6490790 0.81 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL6789705 0.81 HTR2C (0.35) HTR2CHTR2AHTR2B
SCHEMBL6492815 0.81 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6500547 0.81 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL6491699 0.81 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL6779762 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BKDM4EALDH1A1

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.