SCHEMBL21160923

SCHEMBL21160923

CCCCCCC(CCCCCC)N1CCC2(CC1)CNC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 3/20 0.35
TSHR P16473 1/20 0.33
FDPS P14324 3/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL21163920 1.00 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL21370481 1.00 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL20676135 1.00 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL18559567 1.00 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL19852249 0.97 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL18559603 0.90 TSHR (0.34) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL21370269 0.90 TSHR (0.34) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL20676271 0.88 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL24777653 0.88 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL24777893 0.88 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1TSHR

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-10329280-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-25 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-10329280-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 OPRM1 3571/4885OPRD1 3394/4885OPRK1 2579/4885

“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.