SCHEMBL6494302

SCHEMBL6494302

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 1/20 0.38
CCR3 P51677 2/20 0.33
ROCK2 O75116 2/20 0.32
MCHR1 Q99705 2/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
RYR2 Q92736 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ROCK1 Q13464 1/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6492154 0.88 HTR2C (0.40) HTR2CHTR2AHTR2BCCR3MCHR1
SCHEMBL6491265 0.87 HTR2C (0.39) HTR2CHTR2AHTR2BCCR3RYR2
SCHEMBL5416032 0.84 HTR2C (0.44) HTR2CHTR2AHTR2BCCR3MCHR1
SCHEMBL6493494 0.84 HTR2C (0.56) HTR2CHTR2AHTR2BROCK2
SCHEMBL5412958 0.79 HTR2A (0.47) HTR2CHTR2AHTR2BCCR3POLB
SCHEMBL5412965 0.79 HTR2A (0.47) HTR2CHTR2AHTR2BCCR3POLB
SCHEMBL5637424 0.78 HTR2C (0.38) HTR2CHTR2AHTR2BRYR2
SCHEMBL5410492 0.78 HTR2C (0.46) HTR2CHTR2AHTR2BCCR3MCHR1
SCHEMBL5420008 0.77 HTR2C (0.46) HTR2CHTR2AHTR2BCCR3MTNR1A
SCHEMBL5410885 0.77 HTR2A (0.47) HTR2CHTR2AHTR2BCCR3

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.