SCHEMBL6090330

SCHEMBL6090330

Cn1c(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc(C(=O)O)c(OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.49
ALDH1A1 P00352 1/20 0.48
OPRL1 P41146 6/20 0.48
OPRM1 P35372 5/20 0.48
OPRD1 P41143 5/20 0.48
SLC6A9 P48067 2/20 0.46
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL5363229 0.95 OPRK1 (0.45) OPRK1ALDH1A1OPRL1OPRM1OPRD1
SCHEMBL6086382 0.84 ALDH1A1 (0.54) OPRK1ALDH1A1OPRL1OPRM1OPRD1
SCHEMBL6086308 0.81 CRBN (0.41) OPRK1OPRM1OPRD1HTR2C
SCHEMBL1671403 0.80 DPP4 (0.47) ALDH1A1
SCHEMBL6086918 0.79 PTPN11 (0.43) ALDH1A1
SCHEMBL5310259 0.79 CYP1A2 (0.41) ALDH1A1
SCHEMBL6088673 0.78 PTPN11 (0.40) ALDH1A1
SCHEMBL6087739 0.74 PLD1 (0.51) OPRK1OPRL1OPRM1OPRD1SLC6A9
SCHEMBL6086561 0.73 TSHR (0.40) OPRK1ALDH1A1OPRM1OPRD1HTR1A
SCHEMBL6088414 0.72 CYP3A4 (0.40) ALDH1A1

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 OPRK1 2289/4885ALDH1A1 539/4885OPRL1 3732/4885

“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.