SCHEMBL295349

SCHEMBL295349

CC(N)c1cccc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
PNMT P11086 1/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
PDE2A O00408 1/20 0.41
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
BCHE P06276 1/20 0.35
CFD P00746 1/20 0.35
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GABRA1 P14867 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL30421837 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL7787820 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL14831217 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL26931475 0.98 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL14120931 0.98 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
Hydrochloric Acid SCHEMBL7785569 0.98 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL23139487 0.81 PDE2A (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL29394861 0.81 PDE2A (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL310968 0.81 PDE2A (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL420964 0.81 GABRA1 (0.48) CYP1A2CYP3A4LMNACES2CES1

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
EP-4600243-A2 NOVEL BICYCLIC HETEROCYCLYL COMPOUNDS AND USE THEREOF Jeil Pharmaceutical Co., Ltd. (KR) 2025-08-13 EP disclosed
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
CN-119998264-A Novel bicyclic heterocyclyl compounds and uses thereof 第一药品株式会社 2025-05-13 CN disclosed
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-08-22 US disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-11987597-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
CN-113271950-B Pyrimidine compound or salt thereof 大鹏药品工业株式会社 2024-04-30 CN disclosed
WO-2024084390-A1 COMPOUNDS FOR THE ACTIVATION OF AMPK PFIZER INC. (US) 2024-04-25 WO disclosed
WO-2024075070-A2 NOVEL BICYCLIC HETEROCYCLYL COMPOUNDS AND USE THEREOF 제일약품주식회사 2024-04-11 WO disclosed
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-03-07 US disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 WO disclosed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1422216-A1 FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-05-26 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 CYP1A2 4061/4885CYP3A4 4497/4885CYP2D6 3531/4885
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA CYP1A2 3906/4885CYP3A4 4340/4885CYP2D6 4533/4885
US-11987597-B2 Modulators of TNF-α activity TNF, TNFRSF1A, NFKBIA CYP1A2 3806/4885CYP3A4 4257/4885CYP2D6 4550/4885
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA CYP1A2 3906/4885CYP3A4 4340/4885CYP2D6 4533/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 CYP1A2 1826/4885CYP3A4 3718/4885CYP2D6 3693/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA CYP1A2 3906/4885CYP3A4 4340/4885CYP2D6 4533/4885

“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.