SCHEMBL7971051

SCHEMBL7971051

CC1(C)COc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36

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 SCHEMBL27471846 0.98 OXTR (0.38) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL24122595 0.80 ITGB2 (0.43) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL18754637 0.80 OXTR (0.37) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL3794975 0.80 ABCG2 (0.50) ABCG2ITGB2ICAM1ITGAL
SCHEMBL236649 0.78 OXTR (0.42) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL14182625 0.77 OXTR (0.39) OXTRMAOAMAOBABCG2
SCHEMBL7035762 0.76 OXTR (0.34) OXTRMAOAMAOB
SCHEMBL28644317 0.75 OXTR (0.39) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL11926948 0.75 HTR1A (0.42)
SCHEMBL5985680 0.75 HTR2B (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632906-B1 AZAARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF FOR USE IN PHARMACY ABBISKO THERAPEUTICS CO LTD (CN) 2023-12-13 EP disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 EP disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
EP-4183774-A1 SULFONYLUREA DERIVATIVE AND MEDICAL USES THEREOF Shanghai Senhui Medicine Co., Ltd. (CN) 2023-05-24 EP disclosed
EP-4129345-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed
CN-114262250-A Synthetic method of aromatic ring benzyl ortho-position dialkyl 乐威医药(江苏)股份有限公司 2022-04-01 CN disclosed
WO-2021249522-A1 PYRIDONE-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2021-12-16 WO disclosed
US-8865716-B2 Dihydropteridinones II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8865716-B2 Dihydropteridinones II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
WO-2014127816-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 WO disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130196988-A1 Dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196988-A1 Dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
WO-2013020992-A1 DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-14 WO disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO disclosed
CN-1212964-A Sulfonic acid amide substituted benzodihydropyrane processes for their preparation, their use as medicament and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-04-07 CN 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 (2 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-20130196988-A1 Dihydrothienopyrimidines BACE1, BACE2, APP OXTR 4323/4885MAOA 1885/4885MAOB 2067/4885
US-20130225593-A1 DIHYDROPTERIDINONES II BACE1, BACE2, APP OXTR 3763/4885MAOA 3151/4885MAOB 2701/4885

“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.