SCHEMBL7004630

SCHEMBL7004630

O=C(c1ccccc1)N1CCc2[nH]c3ccc(O)cc3c2CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.74
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
DRD3 P35462 1/20 0.53
GRIN2B Q13224 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49

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
SCHEMBL6474123 0.87 TRPV1 (0.69) TRPV1CDK4CCND1
SCHEMBL6483821 0.87 BAZ2B (0.62) TRPV1CDK4CCND1
SCHEMBL6474459 0.87 BAZ2B (0.62) TRPV1CDK4CCND1
SCHEMBL6485981 0.87 BAZ2B (0.62) TRPV1CDK4CCND1
SCHEMBL6492381 0.86 CDK4 (0.63) TRPV1CDK4CCND1
SCHEMBL7042654 0.84 BAZ2B (0.65) TRPV1DRD2DRD1DRD5DRD3
SCHEMBL6482962 0.84 TRPV1 (0.54) TRPV1CDK4CCND1
SCHEMBL6483852 0.83 TRPV1 (0.53) TRPV1CDK4CCND1
SCHEMBL6038224 0.83 HTR6 (0.54) TRPV1DRD2CDK4CCND1
SCHEMBL6482605 0.80 CDK4 (0.63) TRPV1CDK4CCND1

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-20030216378-A1 Azepino[4,5-b]pyrano[3,2-e]indoles PHARMACIA & UPJOHN CO. 2003-11-20 US disclosed
EP-1296988-A1 AZEPINO 4,5-B]PYRANO 3,2-E]INDOLES PHARMACIA & UPJOHN COMPANY (US) 2003-04-02 EP disclosed
US-6503899-B2 Administering to the patient sufffering from anxiety, obesity, depression or stress related diseases an Azepino(4,5-b)pyrano(3,2-e)indoles PHARMACIA & UPJOHN COMPANY 2003-01-07 US disclosed
US-20020022616-A1 Azepino[4,5-b]pyrano[3,2-e]indoles PHARMACIA & UPJOHN COMPANY 2002-02-21 US disclosed
WO-2002004457-A1 AZEPINO[4,5-B]PYRANO[3,2-E]INDOLES PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO disclosed
WO-2002004456-A1 SUBSTITUTED 2,3,7,8,9,10,11,12-OCTAHYDROAZEPINO[4,5-b]PYRANO[3,2-e]INDOLES PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO 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-20030216378-A1 Azepino[4,5-b]pyrano[3,2-e]indoles NPY5R, HTR5A, IDO1 TRPV1 1346/4885DRD2 369/4885DRD1 211/4885
US-20020022616-A1 Azepino[4,5-b]pyrano[3,2-e]indoles NPY5R, HTR3C, HTR5A TRPV1 1055/4885DRD2 205/4885DRD1 156/4885

“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.