SCHEMBL6491265

SCHEMBL6491265

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 1/20 0.39
CCR3 P51677 2/20 0.34
ERN1 O75460 3/20 0.34
RYR2 Q92736 2/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
KLK7 P49862 1/20 0.30
CPS1 P31327 1/20 0.30
PTGS1 P23219 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 0.90 HTR2C (0.40) HTR2CHTR2AHTR2BCCR3RYR2
SCHEMBL5410715 0.90 HTR2C (0.45) HTR2CHTR2AHTR2BCCR3ERN1
SCHEMBL5421406 0.88 HTR2C (0.49) HTR2CHTR2AHTR2BCCR3ERN1
SCHEMBL5410749 0.88 HTR2C (0.51) HTR2CHTR2AHTR2BCCR3ERN1
SCHEMBL6494302 0.87 HTR2C (0.38) HTR2CHTR2AHTR2BCCR3RYR2
SCHEMBL6492662 0.86 DRD2 (0.34) HTR2CHTR2AHCRTR1HCRTR2
SCHEMBL5636495 0.85 HTR2C (0.40) HTR2CHTR2AHTR2BRYR2
SCHEMBL6491240 0.84 HTR2C (0.57) HTR2CHTR2AHTR2BERN1
SCHEMBL5412958 0.80 HTR2A (0.47) HTR2CHTR2AHTR2BCCR3ERN1
SCHEMBL5412965 0.80 HTR2A (0.47) HTR2CHTR2AHTR2BCCR3ERN1

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.