SCHEMBL1990535

SCHEMBL1990535

NC(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TAAR1 Q96RJ0 1/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
PLAAT3 P53816 3/20 0.51
PLAAT5 Q96KN8 3/20 0.51
PLAAT2 Q9NWW9 3/20 0.51
PLAAT4 Q9UL19 3/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL4591629 0.94 MAOB (0.55) CYP2C9CYP2C19TAAR1HTR3EHTR3B
SCHEMBL1570003 0.89 HDAC3 (0.58) CYP2C9CYP2C19TAAR1HTR3EHTR3B
SCHEMBL2171661 0.89 FFAR1 (0.53) CYP2C9CYP2C19FFAR1KMT2AHTT
SCHEMBL9540782 0.88 HDAC3 (0.66) CYP2C9CYP2C19TAAR1HTR3EHTR3B
SCHEMBL27498895 0.86 HDAC3 (0.64) CYP2C9CYP2C19TAAR1HTR3EHTR3B
Cadaverine Tartrate SCHEMBL9937388 0.85 MAP4K4 (0.47) CYP2C9CYP2C19PLAAT3PLAAT5PLAAT2
SCHEMBL27473632 0.83 CAPN1 (0.50) CYP2C9CYP2C19CAPN1FFAR1ALDH1A1
SCHEMBL7328721 0.82 PLAAT3 (0.55) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
Guanidine SCHEMBL5348315 0.80 FFAR1 (0.61) FFAR1PDPK1MEN1KMT2AIDO1
SCHEMBL1154480 0.80 PLAAT3 (0.53) CYP2C19TAAR1PLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP claimed
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN claimed
CN-113214134-B Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2022-08-30 CN claimed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN claimed
WO-2012175513-A1 THIENYLPYRI(MI)DINYLPYRAZOLE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO claimed
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
WO-2009130240-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-10-29 WO claimed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP claimed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO claimed
US-5578601-A Nonpeptide bradykinin antagonists STERLING WINTHROP INC. (US) 1996-11-26 US claimed
CN-114539158-B FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2023-12-08 CN disclosed
US-20230339913-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS NURA BIO, INC. 2023-10-26 US disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
CN-114539158-A FXIa inhibitor compound and preparation method and application thereof 沈阳药科大学 2022-05-27 CN disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 EP disclosed
EP-0355098-A1 NOVEL SULFONAMIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE NEW SULFONAMIDES HUHTAMÄKI OY (FI) 1990-02-28 EP disclosed
WO-1988007991-A1 NOVEL SULFONAMIDES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE NEW SULFONAMIDES Huhtamäki Oy (FI) 1988-10-20 WO disclosed
US-4590297-A Novel 9-substituted carbacyclin analogs THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
US-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US 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 (1 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-20230339913-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS SARM1, SARNP, ADRM1 CYP2C9 4695/4885CYP2C19 4749/4885TAAR1 4040/4885

“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.