SCHEMBL556084

SCHEMBL556084

Cc1ccc(C2(O)CCN(C(=O)O)CC2CO)cc1F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.42
OPRD1 P41143 14/20 0.42
OPRM1 P35372 5/20 0.42
RORC P51449 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL16423307 0.86 RORC (0.42) OPRK1OPRD1OPRM1RORCAKR1B10
SCHEMBL556661 0.83 RORC (0.40) OPRK1OPRD1OPRM1RORCAKR1B10
SCHEMBL535108 0.82 OPRD1 (0.37) OPRK1OPRD1OPRM1RORCAKR1B10
SCHEMBL533916 0.81 RORC (0.39) OPRK1OPRD1OPRM1RORCAKR1B10
SCHEMBL533915 0.81 RORC (0.39) OPRK1OPRD1OPRM1RORCAKR1B10
SCHEMBL28063989 0.79 OPRK1 (0.56) OPRK1OPRD1OPRM1
SCHEMBL16422928 0.78 RORC (0.39) OPRK1OPRD1OPRM1RORCAKR1B10
SCHEMBL6042866 0.78 OPRK1 (0.45) OPRK1OPRD1
SCHEMBL5379982 0.77 AKR1B10 (0.47) OPRK1OPRD1OPRM1RORCAKR1B10
SCHEMBL556118 0.77 OPRD1 (0.41) OPRK1OPRD1OPRM1RORC

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 OPRK1 980/4885OPRD1 1410/4885OPRM1 2298/4885

“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.