SCHEMBL4766176

SCHEMBL4766176

N#Cc1cc(C(F)(F)F)cnc1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 7/20 0.40
PKM P14618 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 4/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLAU P00749 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36

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
SCHEMBL3967559 0.80 KIF11 (0.49) CYP11B1CYP11B2ALDH1A1KDM4EAR
SCHEMBL16649161 0.79 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1PKMTRPM8
SCHEMBL16139574 0.78 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1TRPM8KDM4E
SCHEMBL2634852 0.78 ALDH1A1 (0.49) CYP11B1CYP11B2ALDH1A1PKMKDM4E
SCHEMBL582977 0.78 ALDH1A1 (0.46) CYP11B1CYP11B2ALDH1A1TRPM8KDM4E
SCHEMBL30055347 0.78 ALDH1A1 (0.49) CYP11B1CYP11B2ALDH1A1PKMKDM4E
SCHEMBL28641181 0.74 ALDH1A1 (0.47) ALDH1A1PKMKDM4EMEN1KMT2A
SCHEMBL1498826 0.74 ALDH1A1 (0.43) ALDH1A1TRPM8KDM4EKMT2ASMN1; SMN2
SCHEMBL24147640 0.74 AGBL2 (0.40) CYP11B1CYP11B2ALDH1A1TRPM8KDM4E
SCHEMBL10460598 0.74 CYP1A2 (0.40) CYP11B1CYP11B2ALDH1A1KDM4EMEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7566726-B2 3,3-disubstituted tetrahydropyranyl cyclopentyl amide modulators of chemokine receptor activity MERCK & CO. INC. (US) 2009-07-28 US disclosed
US-7553841-B2 Amino cyclobutylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-06-30 US disclosed
EP-1592689-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-24 EP disclosed
US-7410961-B2 2,6-disubstituted piperiddines as modulators MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-7307086-B2 3-(4-heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2007-12-11 US disclosed
US-7307086-B2 3-(4-heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2007-12-11 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
EP-1746997-A2 3-(4-HETEROARYLCYCLOHEXYLAMINO) CZCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2007-01-31 EP disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed
WO-2005115392-A2 3-(4-HETEROARYLCYCLOHEXYLAMINO) CYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-12-08 WO disclosed
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2005-12-01 US disclosed
EP-1592689-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-11-09 EP disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 WO disclosed
US-4931452-A N-cyanomethyl-2-pyridinone insecticides THE DOW CHEMICAL COMPANY (US) 1990-06-05 US disclosed
WO-1989004301-A1 N-CYANOMETHYL-2-PYRIDINONE INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1989-05-18 WO disclosed
EP-0316185-A2 N-cyanomethyl-2-pyridinone insecticides THE DOW CHEMICAL COMPANY (US) 1989-05-17 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 (4 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 CYP11B1 2824/4885CYP11B2 2701/4885ALDH1A1 686/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 CYP11B1 725/4885CYP11B2 1133/4885ALDH1A1 1954/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 CYP11B1 712/4885CYP11B2 567/4885ALDH1A1 2646/4885
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors CCR5, CXCR3, CCR2 CYP11B1 344/4885CYP11B2 350/4885ALDH1A1 1490/4885

“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.