SCHEMBL637626

SCHEMBL637626

COc1ccc(C)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
IDO1 P14902 1/20 0.59
EP300 Q09472 1/20 0.57
KAT8 Q9H7Z6 1/20 0.57
IMPDH2 P12268 1/20 0.53
IMPDH1 P20839 1/20 0.53
NQO1 P15559 1/20 0.52
MAPT P10636 4/20 0.48
CYP2A6 P11509 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PLK1 P53350 1/20 0.47
HPGDS O60760 1/20 0.46
CDC25B P30305 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
Hydrochloric Acid SCHEMBL1134109 0.96 EP300 (0.59) CYP1A2IDO1EP300KAT8IMPDH2
SCHEMBL29380721 0.87 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL419307 0.87 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL9005269 0.86 CYP2A6 (0.62) CYP1A2IDO1EP300KAT8IMPDH2
SCHEMBL14450579 0.81 SMN1; SMN2 (0.47) CYP1A2IDO1EP300KAT8IMPDH2
SCHEMBL12019841 0.80 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL7753164 0.80 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL31666411 0.80 IDO1 (0.64) CYP1A2IDO1EP300KAT8IMPDH2
SCHEMBL12019777 0.80 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL14950810 0.79 CYP1A2 (0.59) CYP1A2IDO1EP300KAT8IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532149-B9 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2011-04-20 EP claimed
EP-1532149-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-12-30 EP claimed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US claimed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US claimed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US claimed
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US claimed
US-5075339-A Antiinflammatory agents, antiallergens DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-24 US claimed
US-4948813-A Benzylketone phospholipase A2 inhibitors E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-14 US claimed
US-4354904-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1982-10-19 US claimed
US-12441901-B2 Quantum dot ink composition, and quantum dot electroluminescent device SAMSUNG ELECTRONICS CO., LTD. (KR) 2025-10-14 US disclosed
EP-4558135-A1 CONTINUOUS DELIVERY SYSTEMS COMPRISING A CANNABINOID AND MEDICINAL USES THEREOF Pike Therapeutics Inc. (CA) 2025-05-28 EP disclosed
EP-3191484-B1 PYRAZOLOPYRIDINE DERIVATIVES AND THEIR USE IN THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-12 EP disclosed
EP-4326252-A1 TRANSDERMAL PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT OF CHRONIC PAIN Pike Therapeutics, Inc. (CA) 2024-02-28 EP disclosed
EP-4322931-A1 TRANSDERMAL DELIVERY OF CANNABIDIOL Pike Therapeutics Inc. (CA) 2024-02-21 EP disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
EP-0187854-A4 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION. BAZZANO GAIL S 1987-01-22 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed
EP-0187854-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO, Gail S (US) 1986-07-23 EP disclosed
WO-1986000616-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO GAIL SANSONE 1986-01-30 WO disclosed
US-3998827-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1976-12-21 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 (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-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CYP1A2 364/4885IDO1 483/4885EP300 2848/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 CYP1A2 364/4885IDO1 483/4885EP300 2848/4885
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use NMT2, NMT1, MBOAT1 CYP1A2 2912/4885IDO1 482/4885EP300 1163/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 CYP1A2 313/4885IDO1 103/4885EP300 4111/4885

“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.