SCHEMBL104749

SCHEMBL104749

CC(C)NCc1ccn(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
CASR P41180 1/20 0.43
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM1A O60341 1/20 0.38
NAMPT P43490 1/20 0.35
KCNH2 Q12809 4/20 0.35
GRIN2B Q13224 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HPGDS O60760 1/20 0.34
GPR142 Q7Z601 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL23618534 0.82 HRH1 (0.39) EPHX2CASRDDB1CRBNKDM1A
SCHEMBL21290463 0.78 EPHX2 (0.54) EPHX2CASRDDB1CRBNKDM1A
SCHEMBL17788453 0.78 CASR (0.41) CASRKCNH2KMT2AALDH1A1SMN1; SMN2
SCHEMBL178474 0.78
SCHEMBL15556823 0.77 CASR (0.40) CASRADRA2C
SCHEMBL2259759 0.74 EPHX2 (0.58) EPHX2DDB1CRBNKDM1ANAMPT
SCHEMBL12890611 0.74 CASR (0.76) CASRHTTADRA2CPDE10A
SCHEMBL20667276 0.74 NAMPT (0.44) EPHX2NAMPTHPGDSKMT2AKDM4E
SCHEMBL1913020 0.74 EPHX2 (0.41) EPHX2DDB1CRBNKCNH2GRIN2B
SCHEMBL17788638 0.73 EPHX2 (0.49) EPHX2DDB1CRBNKDM1ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4268824-A1 IMIDAZO[2,1-F][1,2,4]TRIAZINE DERIVATIVES USEFUL AS A MEDICAMENT Manros Therapeutics (FR) 2023-11-01 EP disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11224224-B2 Thiobenzoimidazole as fungicides REDAG CROP PROTECTION LTD. (GB) 2022-01-18 US disclosed
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-24 US disclosed
US-20200085053-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES REDAG CROP PROT LTD (GB) 2020-03-19 US disclosed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-1324985-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2004-10-06 EP disclosed
EP-1324985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002028831-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-04-11 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 (8 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 EPHX2 4454/4885CASR 705/4885DDB1 1515/4885
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM EPHX2 4346/4885CASR 4216/4885DDB1 3943/4885
US-11224224-B2 Thiobenzoimidazole as fungicides CYP1B1, CYP51A1, CYP1A2 EPHX2 976/4885CASR 3945/4885DDB1 2232/4885
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS MCL1, BCLAF1, BCL2A1 EPHX2 3052/4885CASR 4631/4885DDB1 275/4885
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors MCL1, BCLAF1, BCL2A1 EPHX2 3052/4885CASR 4631/4885DDB1 275/4885
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 EPHX2 3154/4885CASR 2744/4885DDB1 2020/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM EPHX2 4346/4885CASR 4216/4885DDB1 3943/4885
US-20200085053-A1 THIOBENZOIMIDAZOLE AS FUNGICIDES CYP1B1, CYP51A1, CYP1A2 EPHX2 976/4885CASR 3945/4885DDB1 2232/4885

“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.