SCHEMBL3787333

SCHEMBL3787333

NCc1ccccc1-c1ccccc1CN

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.73
PNMT P11086 3/20 0.55
LOXL2 Q9Y4K0 2/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
TAAR1 Q96RJ0 6/20 0.40
HTR2A P28223 1/20 0.40
CYP2A6 P11509 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL16814939 0.87 DPP4 (0.59) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL3790601 0.87 ALDH1A1 (0.62) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL2455127 0.85 DPP4 (0.57) DPP4PNMTTAAR1
SCHEMBL2482120 0.85 DPP4 (0.57) DPP4PNMTLOXL2CSNK2A2CSNK2B
SCHEMBL6862516 0.85 DPP4 (1.00) DPP4PNMTCSNK2A2CSNK2BCSNK2A1
SCHEMBL29872374 0.84 DPP4 (1.00) DPP4PNMTLOXL2CSNK2A1TAAR1
SCHEMBL469051 0.84 DPP4 (1.00) DPP4PNMTLOXL2CSNK2A1TAAR1
Hydrochloric Acid SCHEMBL29502692 0.83 DPP4 (0.79) DPP4PNMTCSNK2A1TAAR1CYP2A6
SCHEMBL3805255 0.83 DPP4 (0.55) DPP4PNMTLOXL2CSNK2A2CSNK2B
SCHEMBL28455208 0.83 DPP4 (0.55) DPP4PNMTLOXL2CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841471-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS GRACE W R & CO (US) 2020-05-06 EP disclosed
US-20190153135-A1 Activator Compositions, Their Preparation, And Their Use In Catalysts GRACE W R & CO (US) 2019-05-23 US disclosed
US-10221264-B2 Activator compositions, their preparation, and their use in catalysts W. R. GRACE & CO.-CONN. (US) 2019-03-05 US disclosed
US-20150105238-A1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS W. R. GRACE & CO.-CONN. 2015-04-16 US disclosed
EP-2643366-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORP (US) 2015-03-25 EP disclosed
EP-2841471-A1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS Albemarle Corporation (US) 2015-03-04 EP disclosed
US-8895465-B2 Activator compositions, their preparation, and their use in catalysis ALBEMARLE CORPORATION (US) 2014-11-25 US disclosed
WO-2013162745-A1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS ALBEMARLE CORPORATION (US) 2013-10-31 WO disclosed
EP-2643366-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS Albemarle Corporation (US) 2013-10-02 EP disclosed
US-20130253155-A1 Activator Compositions, Their Preparation, and Their Use In Catalysis ALBEMARIE CORPORATION (US) 2013-09-26 US disclosed
WO-2012071205-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2012-05-31 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 DPP4 3267/4885PNMT 709/4885LOXL2 1544/4885

“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.