SCHEMBL5515239

SCHEMBL5515239

O=C1CCN2c3c(cccc3[C@@H]3CN(C(=O)O)CC[C@@H]32)N1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.49
HTR2A P28223 11/20 0.49
DRD2 P14416 7/20 0.45
DRD1 P21728 7/20 0.45
SLC6A4 P31645 5/20 0.45
HTR2C P28335 2/20 0.41

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
SCHEMBL5506007 0.90 OPRM1 (0.60) OPRM1HTR2ADRD2DRD1SLC6A4
SCHEMBL30579711 0.90 OPRM1 (0.60) OPRM1HTR2ADRD2DRD1SLC6A4
SCHEMBL22023339 0.90 OPRM1 (0.60) OPRM1HTR2ADRD2DRD1SLC6A4
SCHEMBL5636917 0.82 HTR2A (0.56) OPRM1HTR2ADRD2DRD1SLC6A4
SCHEMBL6622170 0.82 HTR2A (0.56) OPRM1HTR2ADRD2DRD1SLC6A4
SCHEMBL5513380 0.82 HTR2A (0.56) OPRM1HTR2ADRD2DRD1SLC6A4
SCHEMBL5507337 0.82 HTR2A (0.35) OPRM1HTR2ADRD2DRD1SLC6A4
SCHEMBL5421686 0.81 CCR3 (0.54) HTR2ASLC6A4HTR2C
SCHEMBL5421689 0.81 CCR3 (0.54) HTR2ASLC6A4HTR2C
SCHEMBL22121768 0.78 HTR2A (0.55) OPRM1HTR2ADRD2DRD1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39680-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-7183282-B2 Substituted heterocycle fused γ-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-27 US disclosed
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-07-06 US disclosed
US-7071186-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2006-07-04 US disclosed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 US disclosed
EP-1189904-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP disclosed
US-20040034015-A1 Substituted heterocycle fused gamma-carbolines ROBICHAUD ALBERT J (US) 2004-02-19 US disclosed
US-6552017-B1 As serotonin agonists and antagonists and are useful in the control or prophylaxis of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 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-20040034015-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 OPRM1 19/4885HTR2A 30/4885DRD2 16/4885
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines HTR2B, HTR1B, HTR3B OPRM1 39/4885HTR2A 17/4885DRD2 11/4885
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 OPRM1 19/4885HTR2A 30/4885DRD2 16/4885

“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.