SCHEMBL21291267

SCHEMBL21291267

CC(C)(C)N1CCC(N2CCC(N)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.30
OPRK1 P41145 2/20 0.30
OPRL1 P41146 1/20 0.30
SIGMAR1 Q99720 2/20 0.30
OPRD1 P41143 1/20 0.30
OGFRL1 Q5TC84 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
SCHEMBL680686 0.87 HTT (0.34) OPRM1
SCHEMBL15804607 0.85 SIGMAR1 (0.31) SIGMAR1
SCHEMBL11916119 0.82 SIGMAR1 (0.37) SIGMAR1
SCHEMBL117945 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL1709040 0.81 KDM4E (0.42) SIGMAR1
SCHEMBL1106434 0.80 L3MBTL3 (0.43) SIGMAR1
SCHEMBL12563384 0.80 L3MBTL3 (0.39) SIGMAR1
SCHEMBL24827910 0.79 MEN1 (0.36) OPRM1OPRK1OPRL1SIGMAR1
SCHEMBL23594119 0.79 MEN1 (0.36) OPRM1OPRK1OPRL1SIGMAR1
SCHEMBL12395797 0.79 SIGMAR1 (0.33) OPRM1OPRK1OPRL1SIGMAR1OPRD1

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-10647694-B2 Diphenylaminopyrimidine and triazine compound, and pharmaceutical composition and use thereof ARROMAX PHARMATECH CO., LTD. (CN) 2020-05-12 US disclosed
US-20190256493-A1 DIPHENYLAMINOPYRIMIDINE AND TRIAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2019-08-22 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-20190256493-A1 DIPHENYLAMINOPYRIMIDINE AND TRIAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ALK, CD2, TYRO3 OPRM1 400/4885OPRK1 478/4885OPRL1 736/4885
US-10647694-B2 Diphenylaminopyrimidine and triazine compound, and pharmaceutical composition and use thereof ALK, CD2, TYRO3 OPRM1 400/4885OPRK1 478/4885OPRL1 736/4885

“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.