SCHEMBL6356896

SCHEMBL6356896

O=[N+]([O-])C=C1CCC2(CC1)OCCc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
TMEM97 Q5BJF2 2/20 0.42
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CCR2 P41597 2/20 0.34
AVPR1A P37288 2/20 0.32

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
SCHEMBL6346561 0.76 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL29204433 0.71 SIGMAR1 (0.60) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL6346542 0.70 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL3403510 0.70 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL1588897 0.70 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL30484433 0.70 SIGMAR1 (0.55) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL14154427 0.69 SIGMAR1 (0.65) SIGMAR1TMEM97CCR2
SCHEMBL30623485 0.69 SIGMAR1 (0.69) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL25447581 0.68 SIGMAR1 (0.49) SIGMAR1TMEM97OPRM1OPRD1OPRK1
SCHEMBL29531860 0.68 SIGMAR1 (0.52) SIGMAR1TMEM97OPRM1OPRD1OPRK1

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-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 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-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 SIGMAR1 1107/4885TMEM97 2334/4885OPRM1 145/4885

“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.