SCHEMBL4177865

SCHEMBL4177865

Cc1ccc2c(c1)C1(NC(=O)NC1=O)C(=O)N2CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
AKR1B1 P15121 3/20 0.38
CNR2 P34972 1/20 0.38
ADAM17 P78536 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
POLB P06746 1/20 0.36
SCN9A Q15858 1/20 0.36
CRHR1 P34998 2/20 0.35
CRHR2 Q13324 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1A1 P14550 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4168465 0.95 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1AKR1B1
SCHEMBL4169761 0.94 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1AKR1B1
SCHEMBL4163269 0.86 AKR1B1 (0.49) OPRL1OPRM1OPRK1AKR1B1CRHR1
SCHEMBL4160267 0.83 SCN9A (0.43) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL4169764 0.83 OPRL1 (0.47) OPRL1OPRM1OPRK1AKR1B1SCN9A
SCHEMBL4157330 0.81 AKR1B1 (0.50) OPRL1OPRM1OPRK1AKR1B1SCN9A
SCHEMBL4165436 0.81 AKR1B1 (0.47) OPRL1AKR1B1ADAMTS5SCN9ACRHR1
SCHEMBL4255794 0.81 AKR1B1 (0.46) AKR1B1ADAMTS5POLBALDH1A1KDM4E
SCHEMBL4164608 0.81 AKR1B1 (0.46) OPRL1OPRM1OPRK1AKR1B1ADAMTS5
SCHEMBL4160469 0.81 OPRL1 (0.47) OPRL1OPRM1OPRK1AKR1B1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 OPRL1 90/4885OPRM1 210/4885OPRD1 67/4885

“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.