SCHEMBL3755915

SCHEMBL3755915

NCc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
KIF11 P52732 1/20 0.41
CYP2A6 P11509 1/20 0.40
CYP19A1 P11511 2/20 0.40
FAAH O00519 2/20 0.39
SLC6A4 P31645 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NOTUM Q6P988 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DRD4 P21917 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ROCK2 O75116 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
SCHEMBL31139932 1.00 CTNNB1 (0.41) CTNNB1WNT3AKIF11CYP2A6CYP19A1
Hydrochloric Acid SCHEMBL4034010 0.98 CTNNB1 (0.41) CTNNB1WNT3AKIF11CYP2A6CYP19A1
Hydrochloric Acid SCHEMBL3750451 0.98 CTNNB1 (0.41) CTNNB1WNT3AKIF11CYP2A6CYP19A1
SCHEMBL10769004 0.88 KIF11 (0.41) CTNNB1WNT3AKIF11CYP2A6LOXL2
SCHEMBL1971747 0.85 TAAR1 (0.53) CTNNB1WNT3AKIF11CYP19A1FAAH
Hydrochloric Acid SCHEMBL4511238 0.83 TAAR1 (0.51) CTNNB1WNT3AKIF11CYP19A1FAAH
SCHEMBL2537768 0.82 CYP19A1 (0.43) CTNNB1WNT3AKIF11CYP19A1FAAH
SCHEMBL4014702 0.80 ALOX15 (0.51) KIF11CYP2A6SLC6A4NPC1RAB9A
SCHEMBL15151309 0.80 CTNNB1 (0.41) CTNNB1WNT3AKIF11CYP19A1FAAH
SCHEMBL22657885 0.80 FAAH (0.45) CTNNB1WNT3AKIF11CYP19A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698170-A1 GLYCINAMIDE DERIVATIVES FOR USE IN THE TREATMENT OF SALMONELLOSIS Eberhard-Karls-Universität Tübingen (DE) 2026-02-25 EP disclosed
US-20250002452-A1 BICYCLOPENTANE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2025-01-02 US disclosed
EP-4479377-A1 NEW BICYCLOPENTANE DERIVATIVES Icagen, LLC (US) 2024-12-25 EP disclosed
WO-2024218333-A1 GLYCINAMIDE DERIVATIVES FOR USE IN THE TREATMENT OF SALMONELLOSIS EBERHARD KARLS UNIVERSITÄT TÜBINGEN MEDIZINISCHE FAKULTÄT (DE) 2024-10-24 WO disclosed
CN-118829626-A Novel dicyclopentane derivatives 伊卡根有限责任公司 2024-10-22 CN disclosed
US-11939320-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2024-03-26 US disclosed
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-20050250707-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2005-11-10 US disclosed
US-6953858-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2005-10-11 US disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 WO disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 US disclosed
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC 2004-09-02 US disclosed
EP-1448539-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS Agouron Pharmaceuticals , Inc. (US) 2004-08-25 EP disclosed
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PFIZER INC. 2003-12-04 US disclosed
US-20030153507-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2002100845-A1 HV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-0424125-A2 Aralkylamine derivatives, preparation method thereof and fungicides containing the same UBE INDUSTRIES, LTD. (JP) 1991-04-24 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 (9 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-20250002452-A1 BICYCLOPENTANE DERIVATIVES BICRA, C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CTNNB1 2885/4885WNT3A 1016/4885KIF11 445/4885
US-20030153507-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD CTNNB1 3017/4885WNT3A 3462/4885KIF11 3778/4885
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 CTNNB1 3643/4885WNT3A 4423/4885KIF11 4118/4885
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis SERPINB1, PEPD, PREP CTNNB1 2885/4885WNT3A 3422/4885KIF11 3743/4885
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD CTNNB1 3017/4885WNT3A 3462/4885KIF11 3778/4885
US-11939320-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 CTNNB1 3410/4885WNT3A 3835/4885KIF11 4178/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA CTNNB1 3364/4885WNT3A 3042/4885KIF11 1033/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 CTNNB1 2626/4885WNT3A 3069/4885KIF11 2443/4885
US-20050250707-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP CTNNB1 3054/4885WNT3A 3550/4885KIF11 3757/4885

“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.