SCHEMBL21370288

SCHEMBL21370288

CCCCCCCC(CCCCCCC)N1CCC2(COC2)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 3/20 0.34
FDPS P14324 4/20 0.33
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL18559601 1.00 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1FDPS
SCHEMBL21160752 0.90 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1FDPS
SCHEMBL19852590 0.90 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1FDPS
SCHEMBL21161004 0.90 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1FDPS
SCHEMBL18559568 0.90 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1FDPS
SCHEMBL25813089 0.90 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1FDPS
SCHEMBL25014976 0.87 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL24087960 0.87 FDPS (0.36) FDPS
SCHEMBL20214872 0.87 FDPS (0.36) FDPS
SCHEMBL24453312 0.87 OPRM1 (0.30) OPRM1OPRD1OPRK1OPRL1

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-10723719-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20190284172-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2019-09-19 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 (2 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-10723719-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 OPRM1 3571/4885OPRD1 3394/4885OPRK1 2579/4885
US-20190284172-A1 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.