SCHEMBL4397749

SCHEMBL4397749

CC(C)(C)N(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.53
BCHE P06276 2/20 0.50
OPRM1 P35372 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL3524495 1.00 ACHE (0.53) ACHEBCHEOPRM1CHRM2CHRM3
SCHEMBL1995216 0.84 OPRM1 (0.47) ACHEBCHEOPRM1CHRM2CHRM3
SCHEMBL3548654 0.84 OPRM1 (0.47) ACHEBCHEOPRM1CHRM2CHRM3
SCHEMBL3548657 0.84 OPRM1 (0.47) ACHEBCHEOPRM1CHRM2CHRM3
SCHEMBL3548653 0.84 OPRM1 (0.47) ACHEBCHEOPRM1CHRM2CHRM3
SCHEMBL3625675 0.83 CYP2D6 (0.49) ACHEBCHE
SCHEMBL3643830 0.81 KCNH2 (0.49) ACHEBCHE
SCHEMBL8844605 0.80 OPRM1 (0.50) OPRM1CHRM2CHRM3
SCHEMBL3686563 0.80 DRD4 (0.55)
SCHEMBL3020210 0.80 DRD4 (0.55)

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
EP-2516420-B1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORP (US) 2018-08-22 EP disclosed
US-8901146-B2 Aminoalkylpyrimidine derivatives as histamine H4 receptor antagonists MEDICIS PHARMACEUTICAL CORPORATION (US) 2014-12-02 US disclosed
US-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-01-17 US disclosed
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 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-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 ACHE 2884/4885BCHE 997/4885OPRM1 254/4885
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 ACHE 2704/4885BCHE 1411/4885OPRM1 164/4885

“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.