SCHEMBL1600942

SCHEMBL1600942

c1ccc(CN(Cc2ccccc2)c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.41
TSHR P16473 6/20 0.40
CYP2C19 P33261 2/20 0.39
LMNA P02545 4/20 0.38
CYP2D6 P10635 3/20 0.38
KMT2A Q03164 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP1A2 P05177 2/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PDE6A P16499 1/20 0.38
MC4R P32245 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL15616984 0.82 AOC3 (0.41) HCAR3TSHRCYP2C19LMNACYP2D6
SCHEMBL5003448 0.82 ALDH1A1 (0.53) TSHRCYP2C19CYP2D6KMT2AADRA2A
SCHEMBL23291192 0.74 CYP1A2 (0.45) HCAR3TSHRCYP2C19CYP2D6KMT2A
SCHEMBL7212433 0.71 HDAC3 (0.43) SLC6A4
SCHEMBL17002519 0.69 CALM1 (0.38) TSHRLMNACYP2D6KMT2AOPRM1
SCHEMBL232998 0.67 NR1H2 (0.46) TSHRKMT2ATAAR1ALDH1A1GAA
SCHEMBL5802693 0.67 HCAR3 (0.41) HCAR3TSHRCYP2C19LMNACYP2D6
SCHEMBL4715479 0.65 DAO (0.47) LMNATAAR1KCNH2SMN1; SMN2ALDH1A1
SCHEMBL9978690 0.65 NR1H2 (0.44) TSHRKMT2ATAAR1ALDH1A1GAA
SCHEMBL5173931 0.65 NR1H2 (0.44) TSHRKMT2ATAAR1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994015-B1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PROD INC (US) 2013-04-24 EP disclosed
US-8383660-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2013-02-26 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
EP-1994015-A1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS Pfizer Products Inc. (US) 2008-11-26 EP disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105049-A1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070213314-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 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-20070213314-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP HCAR3 1630/4885TSHR 1243/4885CYP2C19 669/4885
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP HCAR3 1630/4885TSHR 1243/4885CYP2C19 669/4885

“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.