SCHEMBL613478

SCHEMBL613478

C1CCC(NC2CC2)CC1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.92
HSD17B10 Q99714 1/20 0.92
ADH1B P00325 3/20 0.50
ADH1C P00326 3/20 0.50
ADH1A P07327 3/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 2/20 0.45
EPHX1 P07099 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA1 P00915 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL5909148 1.00 ALDH1A1 (0.92) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL1679056 1.00 ALDH1A1 (0.92) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL1679059 1.00 ALDH1A1 (0.92) ALDH1A1HSD17B10ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL3247210 0.96 ALDH1A1 (0.86) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24839013 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771540 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL18657086 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771539 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL20733078 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL21375316 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304571-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF SUZHOU KEEN THERAPEUTICS CO., LTD. (CN) 2025-10-02 US disclosed
EP-4565588-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF Suzhou Keen Therapeutics Co., Ltd. (CN) 2025-06-11 EP disclosed
WO-2023241620-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF SUZHOU KEEN THERAPEUTICS CO., LTD. (CN) 2023-12-21 WO disclosed
CN-116334018-A Heat-resistant reductive amination enzyme and preparation method and application thereof 上海交通大学 2023-06-27 CN disclosed
CN-116334153-A Reductive amination enzyme and preparation method and application thereof 上海交通大学 2023-06-27 CN disclosed
US-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER NXERA PHARMA UK LIMITED (GB) 2023-05-11 US disclosed
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
EP-4122441-A1 CROSSLINKED HYALURONIC ACID-COLLAGEN GELS FOR IMPROVING TISSUE GRAFT VIABILITY AND SOFT TISSUE AUGMENTATION ALLERGAN, INC. (US) 2023-01-25 EP disclosed
US-9845314-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRNGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-12-19 US disclosed
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 US disclosed
EP-0670838-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO 4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1995-09-13 EP disclosed
US-5359073-A Substituted-phenyl (N,N'-cycloalkyl/alkyl carboxamide)-1H/3H-imidazo[4,5-b]pyridine compounds as PAF antagonists G. D. SEARLE & CO. (US) 1994-10-25 US disclosed
WO-1994017063-A1 N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE 4H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-08-04 WO disclosed
WO-1994012500-A1 SUBSTITUTED-PHENYL(N,N'-CYCLOALKYL/ALKYL CARBOXAMIDE)-1H/3H-IMIDAZO[4,5-b]PYRIDINE COMPOUNDS AS PAF ANTAGONISTS G.D. SEARLE & CO. (US) 1994-06-09 WO disclosed
US-5262426-A Treatment of cardiovascular disorders, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-11-16 US disclosed
US-5204353-A 3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidines, compositions thereof, and method of treating epilepsy therewith CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
US-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed
EP-0288431-A1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1988-10-26 EP 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 (4 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-20230146483-A1 5-AMINO-8-(4-PYRIDYL)-[1,2,4]TRIAZOLO[4,3-C]PYRIMIDIN-3-ONE COMPOUNDS FOR USE AGAINST CANCER ADORA2A, ADORA1, ADORA3 ALDH1A1 111/4885HSD17B10 2963/4885ADH1B 488/4885
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 ALDH1A1 2098/4885HSD17B10 3129/4885ADH1B 2701/4885
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 ALDH1A1 1117/4885HSD17B10 1648/4885ADH1B 1103/4885
US-20250304571-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF VHL, BRCA1, TERT ALDH1A1 256/4885HSD17B10 1120/4885ADH1B 361/4885

“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.