SCHEMBL20153166

SCHEMBL20153166

CCCCC(C)N1CCC2(CC1)CNC2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM2B Q8NHM5 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL18842878 0.89 TSHR (0.35) TSHR
SCHEMBL20970852 0.82 HTR1A (0.35) OPRM1OPRD1OPRK1OPRL1KDM2B
SCHEMBL18559577 0.82 TSHR (0.37) TSHR
SCHEMBL22414444 0.81 USP2 (0.31) TSHR
SCHEMBL20153178 0.81 CYP3A4 (0.48) TSHRHSD17B10
SCHEMBL24688458 0.79 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1KDM2B
SCHEMBL21216976 0.79 TSHR (0.37) TSHROPRM1OPRD1OPRK1OPRL1
SCHEMBL21364233 0.78 TSHR (0.46) TSHR
SCHEMBL19928539 0.78 MEN1 (0.31)
SCHEMBL21163920 0.78 OPRM1 (0.35) TSHROPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352343-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20200299272-A1 Urea Derivatives and Uses Thereof KALA BIO, Inc. 2020-09-24 US disclosed
US-10329280-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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 (4 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-11352343-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 TSHR 857/4885OPRM1 3571/4885OPRD1 3394/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TSHR 1461/4885OPRM1 2992/4885OPRD1 2355/4885
US-20200299272-A1 Urea Derivatives and Uses Thereof UACA, RB1, FLT1 TSHR 857/4885OPRM1 3571/4885OPRD1 3394/4885
US-10329280-B2 Urea derivatives and uses thereof UACA, RB1, FLT1 TSHR 857/4885OPRM1 3571/4885OPRD1 3394/4885

“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.