SCHEMBL5410885

SCHEMBL5410885

COc1ccc(-c2cc3c4c(c2)[C@@H]2CN(C(=O)O)CC[C@@H]2N4CC3)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 1/20 0.47
CCR3 P51677 3/20 0.41
CPS1 P31327 14/20 0.40
ERN1 O75460 1/20 0.37

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
SCHEMBL5420029 0.95 HTR2A (0.54) HTR2AHTR2CHTR2BCCR3CPS1
SCHEMBL5418460 0.94 HTR2A (0.51) HTR2AHTR2CHTR2BCCR3CPS1
SCHEMBL5412965 0.91 HTR2A (0.47) HTR2AHTR2CHTR2BCCR3ERN1
SCHEMBL5412958 0.91 HTR2A (0.47) HTR2AHTR2CHTR2BCCR3ERN1
SCHEMBL5410492 0.90 HTR2C (0.46) HTR2AHTR2CHTR2BCCR3
SCHEMBL5413294 0.89 HTR2C (0.46) HTR2AHTR2CHTR2BCCR3
SCHEMBL5420008 0.89 HTR2C (0.46) HTR2AHTR2CHTR2BCCR3
SCHEMBL5847616 0.89 HTR2A (0.46) HTR2AHTR2CHTR2BCCR3CPS1
SCHEMBL5408675 0.89 HTR2A (0.62) HTR2AHTR2CHTR2BCCR3
SCHEMBL5410715 0.88 HTR2C (0.45) HTR2AHTR2CHTR2BCCR3ERN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-08-10 US disclosed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US disclosed
EP-1189905-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-29 EP disclosed
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation ROBICHAUD ALBERT J (US) 2004-07-01 US disclosed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 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 (3 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-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2A 30/4885HTR2C 2/4885HTR2B 8/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B HTR2A 8/4885HTR2C 6/4885HTR2B 1/4885
US-20040127482-A1 Administering substituted heterocycle fused gamma-carboline compounds for therapy of addictive behavior associated with 5HT2C receptor modulation HTR2C, HTR2B, HTR3B HTR2A 6/4885HTR2C 1/4885HTR2B 2/4885

“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.