SCHEMBL10271099

SCHEMBL10271099

CNC(=O)NC1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.46
EPHX1 P07099 6/20 0.46
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
P2RX4 Q99571 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL13804064 0.88 MTNR1A (0.42) EPHX2EPHX1
SCHEMBL965099 0.82
SCHEMBL10155582 0.82 EPHX2 (0.56) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL31575193 0.82 EPHX2 (0.44) EPHX2EPHX1KDM4EALDH1A1P2RX4
SCHEMBL6175075 0.82 KDM4E (0.47) EPHX2EPHX1KDM4EALDH1A1P2RX4
SCHEMBL12522289 0.80 EPHX2 (0.71) EPHX2EPHX1
SCHEMBL23986333 0.80 EPHX2 (0.61) EPHX2EPHX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13801280 0.79 EPHX2 (0.44) EPHX2EPHX1KDM4EALDH1A1NPC1
SCHEMBL16103854 0.79 SIGMAR1 (0.46) EPHX1KDM4EALDH1A1P2RX4
SCHEMBL13102977 0.79 KEAP1 (0.48) EPHX2EPHX1KDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174487-A1 PHENYLPROPIONAMIDE COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-06-08 US disclosed
WO-2017049462-A1 NOVEL FLT3 KINASE INHIBITOR AND USES THEREOF 合肥中科普瑞昇生物医药科技有限公司 2017-03-30 WO disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 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 (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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 EPHX2 3868/4885EPHX1 4148/4885KDM4E 420/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK EPHX2 2474/4885EPHX1 2013/4885KDM4E 1757/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG EPHX2 2375/4885EPHX1 2644/4885KDM4E 2391/4885
US-20230174487-A1 PHENYLPROPIONAMIDE COMPOUND AND USE THEREOF PAH, TRPV1, TRPA1 EPHX2 448/4885EPHX1 267/4885KDM4E 2215/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB EPHX2 2974/4885EPHX1 2711/4885KDM4E 1004/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 EPHX2 3868/4885EPHX1 4148/4885KDM4E 420/4885

“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.