SCHEMBL301111

SCHEMBL301111

O=C(O)C1(c2cccc(F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.53
APP P05067 6/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 3/20 0.51
AKR1C3 P42330 6/20 0.49
AKR1C2 P52895 6/20 0.49
CYP2D6 P10635 1/20 0.48
HSD11B1 P28845 1/20 0.47
AKR1B10 O60218 1/20 0.46
AKR1C4 P17516 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 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
SCHEMBL2079237 0.93 AKR1C1 (0.65) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL30487797 0.93 AKR1C1 (0.65) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL2535205 0.93 AKR1C1 (0.59) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL435932 0.91 AKR1C1 (0.62) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL3219884 0.91 AKR1C1 (0.62) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL5768673 0.89 AKR1C1 (0.46) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL6505689 0.89 CYP2D6 (0.48) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL1626768 0.89 ALDH1A1 (0.48) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL13887009 0.84 AKR1C1 (0.41) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL4320025 0.84 KCNN4 (0.47) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-14 US claimed
WO-2007147574-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
EP-1870416-A1 Sulphonamido-macrocycles as tie2 inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP claimed
WO-2025128626-A1 HYBRID PEPTIDE COMPOUNDS HAVING A MODIFIED LYSINE RESIDUE CARMOT THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
WO-2025128624-A2 HYBRID PEPTIDE COMPOUNDS HAVING A SUBSTITUTED TRYPTOPHAN RESIDUE OR A TERMINAL SUBSTITUENT CARMOT THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
CN-113861072-A Preparation method of aryl cyclopropane compound 上海麦克林生化科技有限公司 2021-12-31 CN disclosed
US-20200299292-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2020-09-24 US disclosed
CN-109589325-B A kind of pharmaceutical composition and preparation method thereof for treating enteritis 牡丹江医学院 2019-11-26 CN disclosed
CN-109589325-A A kind of pharmaceutical composition and preparation method thereof for treating enteritis 牡丹江医学院 2019-04-09 CN disclosed
US-20190031657-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2019-01-31 US disclosed
CN-109219602-A Modulators of cystic fibrosis transmembrane conductance regulator proteins 艾伯维公司 2019-01-15 CN disclosed
WO-2011061277-A1 AMINO ARYL ACETAMIDES AND THEIR USE IN THE TREATMENT OF MALARIA GLAXO GROUP LIMITED (GB) 2011-05-26 WO disclosed
US-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
EP-1870416-A1 Sulphonamido-macrocycles as tie2 inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
WO-2004043911-A2 N-CYCLOALKYLGLYCINES AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-5137896-A Useful in treatment of gastrointestinal and psychic disorder; analgesic, antiemetic and antiulcer agent JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-11 US disclosed
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 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 (3 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-20080039482-A1 SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK AKR1C1 962/4885APP 2347/4885CYP2C19 1997/4885
US-20200299292-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD4, BRD3, BRPF3 AKR1C1 2924/4885APP 3673/4885CYP2C19 2617/4885
US-20190031657-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD4, BRD3, BRPF3 AKR1C1 2924/4885APP 3673/4885CYP2C19 2617/4885

“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.