SCHEMBL6086308

SCHEMBL6086308

Cn1c(N2CCC3(CC2)NC(=O)NC3=O)nc(C(=O)O)c(OCc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.41
DDB1 Q16531 5/20 0.40
PTPN11 Q06124 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
CYP1A2 P05177 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL6086918 0.82 PTPN11 (0.43) PTPN11CYP1A2
SCHEMBL5310259 0.81 CYP1A2 (0.41) PTPN11CYP1A2
SCHEMBL6090330 0.81 OPRK1 (0.49) HTR2COPRM1OPRD1OPRK1
SCHEMBL1671403 0.81 DPP4 (0.47) PTPN11CYP1A2
SCHEMBL6086970 0.78 CRBN (0.40) CRBNDDB1OPRM1OPRD1OPRK1
SCHEMBL6088673 0.77 PTPN11 (0.40) PTPN11CYP1A2
SCHEMBL5363229 0.77 OPRK1 (0.45) HTR2COPRM1OPRD1OPRK1
SCHEMBL6086561 0.75 TSHR (0.40) PTPN11OPRM1OPRD1OPRK1OGFRL1
SCHEMBL6088414 0.75 CYP3A4 (0.40) PTPN11CYP1A2
SCHEMBL6094472 0.74 CALCA (0.42) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115601-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-03 US disclosed
US-20050261322-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 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 (1 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-20050261322-A1 HIV integrase inhibitors TYMP, PAICS, TYMS CRBN 4140/4885DDB1 776/4885PTPN11 3387/4885

“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.