SCHEMBL6492154

SCHEMBL6492154

COc1ccc(-c2cc3c4c(c2)[C@@H]2CN(C(=O)O)CC[C@@H]2N4CCSC3)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 1/20 0.40
MCHR1 Q99705 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR3 P51677 2/20 0.35
HSD11B1 P28845 2/20 0.34
PROKR1 Q8TCW9 3/20 0.33
RYR2 Q92736 1/20 0.33
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL6491265 0.90 HTR2C (0.39) HTR2CHTR2AHTR2BALDH1A1MEN1
SCHEMBL5410492 0.89 HTR2C (0.46) HTR2CHTR2AHTR2BMCHR1ALDH1A1
SCHEMBL6494302 0.88 HTR2C (0.38) HTR2CHTR2AHTR2BMCHR1ALDH1A1
SCHEMBL5405383 0.88 HTR2C (0.53) HTR2CHTR2AHTR2BMCHR1ALDH1A1
SCHEMBL5421381 0.87 HTR2C (0.50) HTR2CHTR2AHTR2BMCHR1ALDH1A1
SCHEMBL6489722 0.85 HTR2C (0.39) HTR2CHTR2AHTR2BMCHR1ALDH1A1
SCHEMBL6501717 0.85 HTR2C (0.39) HTR2CHTR2AHTR2BMCHR1ALDH1A1
SCHEMBL6490880 0.81 HTR2C (0.60) HTR2CHTR2AHTR2BMCHR1ALDH1A1
SCHEMBL5412958 0.81 HTR2A (0.47) HTR2CHTR2AHTR2BALDH1A1CCR3
SCHEMBL5412965 0.81 HTR2A (0.47) HTR2CHTR2AHTR2BALDH1A1CCR3

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.