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SCHEMBL82429

SCHEMBL82429

CC(C)(C)OC(=O)NC1(C)CN(Cc2ccccc2)C(=O)C12CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPFFR1 Q9GZQ6 1/20 0.42
▸ NPFFR2 Q9Y5X5 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ ATM Q13315 1/20 0.38
▸ AKT1 P31749 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ PPIA P62937 1/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CTSL P07711 1/20 0.37

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
SCHEMBL4772739 0.89 SIGMAR1 (0.41) KMT2AL3MBTL1NPFFR1NPFFR2CA12
SCHEMBL4772742 0.89 SIGMAR1 (0.41) KMT2AL3MBTL1NPFFR1NPFFR2CA12
SCHEMBL13201400 0.80 OPRD1 (0.49) KMT2AL3MBTL1NPFFR1NPFFR2CA12
SCHEMBL81713 0.77 NPFFR1 (0.50) KMT2AL3MBTL1NPFFR1NPFFR2CA12
SCHEMBL10306166 0.77 KMT2A (0.44) KMT2AL3MBTL1RIPK1ALDH1A1OPRM1
SCHEMBL4772735 0.77 KMT2A (0.39) KMT2AATMOPRL1CTSSCTSK
SCHEMBL13201418 0.76 NPFFR1 (0.44) KMT2AL3MBTL1NPFFR1NPFFR2CA12
SCHEMBL1031172 0.74 NPFFR1 (0.53) KMT2AL3MBTL1NPFFR1NPFFR2ALDH1A1
SCHEMBL1997960 0.73 NPFFR1 (0.58) KMT2AL3MBTL1NPFFR1NPFFR2ALDH1A1
SCHEMBL21224682 0.72 RIPK1 (0.44) KMT2AL3MBTL1NPFFR1NPFFR2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834234-B1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 — — EP disclosed
US-9150532-B2 Fused cyclopentyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-10-06 — — US disclosed
US-20150080588-A1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (US) 2015-03-19 — — US disclosed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 — — EP disclosed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 — — EP disclosed
US-8822460-B2 Fused cyclopentyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 — — US disclosed
US-20140018356-A1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA, NV (BE) 2014-01-16 — — US disclosed
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 — — EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 — — US disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 — — US disclosed
EP-2000467-A9 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2009-03-18 — — EP disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 — — US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 — — US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 — — EP disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 — — EP disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 — — US disclosed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 — — EP disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 — — EP disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 — — EP disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 — — 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 (5 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 KMT2A 3603/4885L3MBTL1 4793/4885NPFFR1 4370/4885
US-20140018356-A1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 KMT2A 2351/4885L3MBTL1 518/4885NPFFR1 405/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L KMT2A 2638/4885L3MBTL1 214/4885NPFFR1 620/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 KMT2A 2807/4885L3MBTL1 4129/4885NPFFR1 2943/4885
US-20150080588-A1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 KMT2A 2116/4885L3MBTL1 1198/4885NPFFR1 204/4885

“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.