SCHEMBL4158364

SCHEMBL4158364

CC(C)(C)N(CCc1cccc(O)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.55
OPRM1 P35372 14/20 0.55
OPRD1 P41143 13/20 0.55
DRD2 P14416 6/20 0.53
DRD3 P35462 6/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1026339 0.85 TAAR1 (0.47) MEN1HTTKMT2AL3MBTL1
SCHEMBL5343307 0.84 MEN1 (0.53) OPRK1OPRM1OPRD1MEN1HTT
SCHEMBL21247482 0.84 KMT2A (0.63) MEN1HTTKMT2AL3MBTL1
SCHEMBL1704199 0.84 TAAR1 (0.55) OPRD1MEN1HTTKMT2AL3MBTL1
SCHEMBL1205533 0.84 MAOA (0.49) OPRK1OPRM1OPRD1MEN1HTT
SCHEMBL1029848 0.81 AOC3 (0.55) MEN1KMT2A
SCHEMBL4147783 0.81 ESRRG (0.49) OPRK1OPRM1OPRD1MEN1HTT
SCHEMBL320435 0.80 FFAR1 (0.44) MEN1HTTKMT2AL3MBTL1
SCHEMBL3401759 0.80 OPRK1 (0.60) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL1204376 0.79 ALDH1A1 (0.52)

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-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US disclosed
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 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-20070265303-A1 Amine derivatives HNMT, HRH4, CMA1 OPRK1 343/4885OPRM1 948/4885OPRD1 690/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 OPRK1 343/4885OPRM1 948/4885OPRD1 690/4885

“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.