SCHEMBL615232

SCHEMBL615232

CC(=O)N1CCc2cc(N)ccc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.69
HSD17B3 P37058 1/20 0.58
CYP11B1 P15538 6/20 0.53
CYP11B2 P19099 6/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.53
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL7416330 0.90 NOTUM (0.62) NOTUMHSD17B3CYP11B2ALDH1A1KDM4E
SCHEMBL30340506 0.87 NOTUM (0.67) NOTUMHSD17B3ALDH1A1HPGDKDM4E
SCHEMBL399536 0.87 NOTUM (0.67) NOTUMHSD17B3ALDH1A1HPGDKDM4E
SCHEMBL853846 0.85 PDK1 (0.50) NOTUMHSD17B3ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL6572261 0.84 CYP11B1 (0.56) NOTUMHSD17B3CYP11B1CYP11B2ALDH1A1
SCHEMBL2061420 0.83 HSD17B3 (0.49) NOTUMHSD17B3CYP11B1CYP11B2ALDH1A1
SCHEMBL25321379 0.83 KDM4E (0.59) NOTUMHSD17B3ALDH1A1HPGDKDM4E
SCHEMBL583556 0.83 ADRB2 (0.55) NOTUMHSD17B3NPC1TP53MAPT
SCHEMBL30475924 0.83 KDM4E (0.59) NOTUMHSD17B3ALDH1A1HPGDKDM4E
SCHEMBL7749897 0.83 ADRB2 (0.54) NOTUMHSD17B3ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297166-B1 SUBSTITUTED N-IMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2012-08-01 EP claimed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 EP claimed
WO-2009135927-A1 SUBSTITUTED N-PHENYL-2,3-DIHYDROIMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-12 WO claimed
EP-2116546-A1 Substituted N-phenyl-2,3-dihydroimidazo[2,1-b]thiazole-5-sulfonamide derivatives as 5-HT6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
EP-2116547-A1 Substituted N-imidazo(2, 1-b) thiazole-5-sulfonamide derivatives as 5-TH6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
US-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US claimed
WO-2008033513-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
US-20250263404-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL BUSINESS LTD (GB) 2025-08-21 US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 US disclosed
US-4983615-A ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-01-08 US disclosed
EP-0405425-A2 Heteroarylamino- and heteroaryloxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4970219-A TOPICAL ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 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 (7 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-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 NOTUM 4876/4885HSD17B3 1419/4885CYP11B1 1588/4885
US-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS ADRA1D, ADRA1A, ADRB1 NOTUM 4076/4885HSD17B3 126/4885CYP11B1 51/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C NOTUM 2953/4885HSD17B3 1720/4885CYP11B1 3053/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 NOTUM 4270/4885HSD17B3 4697/4885CYP11B1 3210/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 NOTUM 4859/4885HSD17B3 3898/4885CYP11B1 2737/4885
US-20250263404-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE PIK3CD, PTEN, PIK3CG NOTUM 3648/4885HSD17B3 3768/4885CYP11B1 1374/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 NOTUM 3548/4885HSD17B3 4207/4885CYP11B1 2534/4885

“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.