SCHEMBL4515539

SCHEMBL4515539

O=Cc1cc(C(F)(F)F)cnc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERN1 O75460 1/20 0.36
PLAU P00749 1/20 0.36
GAA P10253 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5557029 0.91 KMT2A (0.35) KMT2ALMNAAGBL2ALDH1A1KDM4E
SCHEMBL24674722 0.81 ALDH1A1 (0.38) KMT2ALMNAAGBL2ALDH1A1KDM4E
SCHEMBL20576368 0.79 ALOX5AP (0.40) KMT2ALMNAAGBL2ALDH1A1KDM4E
SCHEMBL4522170 0.78 HPGD (0.47) KMT2AAGBL2ALDH1A1KDM4EMAPT
SCHEMBL4522166 0.78 HPGD (0.47) KMT2AAGBL2ALDH1A1KDM4EMAPT
SCHEMBL3260035 0.78 LMNA (0.42) KMT2ALMNAALDH1A1KDM4EPOLB
SCHEMBL29955340 0.78 ALOX5AP (0.42) KMT2ALMNAAGBL2ALDH1A1KDM4E
SCHEMBL22105601 0.75 ERN1 (0.48) AGBL2ERN1
SCHEMBL29956834 0.75 ERN1 (0.48) AGBL2ERN1
SCHEMBL28641181 0.74 ALDH1A1 (0.47) KMT2AAGBL2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759743-B2 Pd-catalyzed γ-C(sp3)-H arylation / heteroarylation of free amines THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-20190241508-A1 PD-CATALYZED GAMMA-C(SP3)-H ARYLATION / HETEROARYLATION OF FREE AMINES THE SCRIPPS RESEARCH INSTITUTE 2019-08-08 US disclosed
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
US-7700772-B2 Amino heterocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-04-20 US disclosed
US-7700772-B2 Amino heterocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-04-20 US disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
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-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-7589085-B2 Tetrahydropyran heterocyclic cyclopentyl heteroaryl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-09-15 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 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
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
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 KMT2A 2548/4885LMNA 3093/4885AGBL2 76/4885
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 KMT2A 3816/4885LMNA 4599/4885AGBL2 1282/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 KMT2A 4346/4885LMNA 4529/4885AGBL2 4415/4885
US-10759743-B2 Pd-catalyzed γ-C(sp3)-H arylation / heteroarylation of free amines DBH, GRIA3, H1-3 KMT2A 940/4885LMNA 1794/4885AGBL2 4225/4885
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors CCR5, CXCR3, CCR2 KMT2A 4312/4885LMNA 4772/4885AGBL2 1819/4885
US-20190241508-A1 PD-CATALYZED GAMMA-C(SP3)-H ARYLATION / HETEROARYLATION OF FREE AMINES DBH, SNCA, H1-3 KMT2A 975/4885LMNA 1824/4885AGBL2 4158/4885

“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.