SCHEMBL696251

SCHEMBL696251

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.67
AKR1C2 P52895 2/20 0.67
AKR1C1 Q04828 2/20 0.56
APP P05067 1/20 0.56
CCR2 P41597 2/20 0.52
THRB P10828 1/20 0.49
KDM1A O60341 2/20 0.49
OPRM1 P35372 2/20 0.48
OPRL1 P41146 1/20 0.48
SLC6A4 P31645 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CES2 O00748 1/20 0.47

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
SCHEMBL8747120 0.94 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1APPCCR2
SCHEMBL3116411 0.94 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C1APPCCR2
SCHEMBL1626570 0.90 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1APPCCR2
SCHEMBL3138704 0.90 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1APPCCR2
SCHEMBL5726893 0.87 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1APPCCR2
SCHEMBL13386454 0.85 KDM1A (0.51) AKR1C3AKR1C2CCR2THRBKDM1A
SCHEMBL15761210 0.85 CCR2 (0.51) AKR1C3AKR1C2CCR2THRBKDM1A
SCHEMBL1808408 0.85 AKR1C3 (0.51) AKR1C3AKR1C2CCR2THRBKDM1A
SCHEMBL5791300 0.83 AKR1C3 (0.70) AKR1C3AKR1C2AKR1C1APPTHRB
SCHEMBL6472580 0.83 APP (0.64) AKR1C3AKR1C2AKR1C1APPTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795264-B2 Substituted arylpyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-09-14 US claimed
EP-2032573-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-11 EP claimed
US-20080064707-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-13 US claimed
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-2007144203-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO claimed
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-01-22 US disclosed
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2025-04-22 US disclosed
EP-4474017-A2 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
CN-118666945-A Metabolic stable anti-drug-resistant main protease inhibitor and application thereof in preparing antiviral drugs 上海市重大传染病和生物安全研究院 2024-09-20 CN disclosed
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 WO disclosed
US-20080064707-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-13 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US 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-1870410-A1 Substituted arylpyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
EP-1870416-A1 Sulphonamido-macrocycles as tie2 inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
EP-1867648-A1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them. Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-19 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 (6 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-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 AKR1C3 1151/4885AKR1C2 895/4885AKR1C1 993/4885
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL AKR1C3 654/4885AKR1C2 754/4885AKR1C1 737/4885
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 AKR1C3 1120/4885AKR1C2 798/4885AKR1C1 962/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL AKR1C3 552/4885AKR1C2 536/4885AKR1C1 450/4885
US-20080064707-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, TEK AKR1C3 843/4885AKR1C2 661/4885AKR1C1 800/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL AKR1C3 552/4885AKR1C2 536/4885AKR1C1 450/4885

“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.