SCHEMBL21291314

SCHEMBL21291314

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HRH3 Q9Y5N1 9/20 0.34
TLR9 Q9NR96 7/20 0.34
TLR8 Q9NR97 7/20 0.34
TLR7 Q9NYK1 7/20 0.34
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 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
SCHEMBL222544 0.87 CHRNA7 (0.34) HRH3
SCHEMBL24854326 0.85 HRH3 (0.37) HRH3TLR9TLR8TLR7L3MBTL3
SCHEMBL24726517 0.85 HRH3 (0.40) OPRM1OPRK1OPRL1HRH3TLR9
SCHEMBL23384260 0.85 HRH3 (0.40) HRH3TLR9TLR8TLR7L3MBTL3
Hydrochloric Acid SCHEMBL1456033 0.84 GNAI3 (0.38) HRH3
Hydrochloric Acid SCHEMBL222616 0.84 GNAI3 (0.38) HRH3
SCHEMBL3235820 0.83 HRH3 (0.37) HRH3
Hydrochloric Acid SCHEMBL3410008 0.82 HRH3 (0.33) HRH3
SCHEMBL22456342 0.82 HRH3 (0.41) HRH3TLR9TLR8TLR7L3MBTL3
SCHEMBL14453902 0.82 HRH3 (0.41) HRH3TLR9TLR8TLR7L3MBTL3

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.