SCHEMBL4072121

SCHEMBL4072121

NC(CO)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
DPP4 P27487 5/20 0.38
PDE2A O00408 1/20 0.36
PDPK1 O15530 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
MME P08473 1/20 0.34
BCDIN3D Q7Z5W3 2/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL8511287 1.00 CES2 (0.42) CES2CES1DPP4PDE2APDPK1
Hydrochloric Acid SCHEMBL1439632 0.98 CES2 (0.41) CES2CES1DPP4PDE2APDPK1
Hydrochloric Acid SCHEMBL1439055 0.98 CES2 (0.41) CES2CES1DPP4PDE2APDPK1
Hydrochloric Acid SCHEMBL1439060 0.98 CES2 (0.41) CES2CES1DPP4PDE2APDPK1
SCHEMBL12498903 0.84 CES2 (0.40) CES2CES1DPP4PDPK1DPP8
SCHEMBL20472544 0.84 CES2 (0.40) CES2CES1DPP4PDPK1DPP8
SCHEMBL8515216 0.84 DPP4 (0.36) DPP4PDE2ADPP8
SCHEMBL8515222 0.84 DPP4 (0.36) DPP4PDE2ADPP8
SCHEMBL24262071 0.82 AKR1C3 (0.41) PDE2A
SCHEMBL5407001 0.82 SLC6A4 (0.42) DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 US disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
EP-3782987-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2021-02-24 EP disclosed
WO-2019201297-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR 南京明德新药研发有限公司 2019-10-24 WO disclosed
EP-2914596-B1 HYDROXY SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE CARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
CN-103228649-B Quinazoline methane amide azetidine MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
EP-2914596-A1 HYDROXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS Bayer Pharma Aktiengesellschaft (DE) 2015-09-09 EP disclosed
CN-104781258-A Hydroxy-substituted imidazo [1,2-a ] pyridinecarboxamides and their use as soluble guanylate cyclase stimulators Bayer Pharma AG 2015-07-15 CN disclosed
EP-1246847-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2002-10-09 EP disclosed
US-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof SYNAPTIC PHARAMCEUTICAL CORPORATION 2002-06-06 US disclosed
US-6362182-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; BENIGN PROSTATIC HYPERTROPIC SYNAPTIC PHARMACEUTICAL CORPORATION 2002-03-26 US disclosed
WO-2002002744-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-01-10 WO disclosed
US-6218390-B1 FOR LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, RELAXING LOWER URINARY TRACT TISSUE, THERAPY OF BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, CARDIAC ARRHYTHMIA, SYMPATHETIC MEDIATED PAIN, MIGRAINE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
WO-2001022919-A2 SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF MERCK & CO., INC. (US) 2001-04-05 WO disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1999025345-A1 ALPHA-1A ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-05-27 WO disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 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 (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-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 CES2 4166/4885CES1 1332/4885DPP4 2858/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT CES2 4205/4885CES1 1510/4885DPP4 3918/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT CES2 4205/4885CES1 1510/4885DPP4 3918/4885

“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.