SCHEMBL2594496

SCHEMBL2594496

NC(C(=O)Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
DPP4 P27487 2/20 0.46
F2 P00734 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
CTSD P07339 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL10932246 1.00 CYP2D6 (0.46) CYP2D6SRCDPP4F2LMNA
SCHEMBL8481256 1.00 CYP2D6 (0.46) CYP2D6SRCDPP4F2LMNA
Hydrochloric Acid SCHEMBL2003210 0.98 CYP2D6 (0.44) CYP2D6SRCDPP4F2LMNA
Hydrochloric Acid SCHEMBL6718139 0.98 CYP2D6 (0.44) CYP2D6SRCDPP4F2LMNA
Hydrochloric Acid SCHEMBL9800501 0.98 CYP2D6 (0.44) CYP2D6SRCDPP4F2LMNA
Phenylglycine SCHEMBL31402004 0.80 CYP2D6 (0.56) CYP2D6SRCDPP4F2LMNA
Phenylglycine SCHEMBL159420 0.80 CYP2D6 (0.56) CYP2D6SRCDPP4F2LMNA
Phenylglycine SCHEMBL30559595 0.80 CYP2D6 (0.56) CYP2D6SRCDPP4F2LMNA
Phenylglycine SCHEMBL11576917 0.80 CYP2D6 (0.56) CYP2D6SRCDPP4F2LMNA
Phenylglycine SCHEMBL157180 0.80 CYP2D6 (0.56) CYP2D6SRCDPP4F2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138795-A2 PROCESS FOR PREPARING (S)-10-ACETOXY-10,11-DIHYDRO-5H-DIBENZ[B,F] AZEPINE-5-CARBOXAMIDE MSN LABORATORIES LIMITED (IN) 2011-11-10 WO claimed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 US disclosed
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 US disclosed
CN-102584762-A Gelsemic acid derivative and preparation method and application thereof UNIV CHINA PHARMA 2012-07-18 CN disclosed
CN-1095846-C Production process of cephem compound EISAI KAGAKU KK (JP) 2002-12-11 CN disclosed
EP-1075479-A1 A METHOD FOR CRYSTALLIZING A BETA-LACTAM ANTIBIOTIC DSM N.V. (NL) 2001-02-14 EP disclosed
WO-1999055710-A1 A METHOD FOR CRYSTALLIZING A β-LACTAM ANTIBIOTIC DSM N.V. (NL) 1999-11-04 WO disclosed
CN-1184814-A Production process of cephem compound EISAI KAGAKU KK (JP) 1998-06-17 CN disclosed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
US-4968699-A CENTRAL NERVOUS SYSTEM; ANTIISCHEMIC AND ANTIHYPOXIC AGENTS; ACTIVE AGAINST CEREBRAL OXYGEN DEFICIENCY BEECHAM-WUELFING GMBH & CO. (DE) 1990-11-06 US disclosed
US-4145343-A BACTERICIDES UCB SOCIETE ANONYME (BE) 1979-03-20 US disclosed
US-4139628-A ANTIBIOTICS U C B, SOCIETE ANONYME (BE) 1979-02-13 US disclosed
US-4137236-A ANTIBIOTICS, BACTERICIDES U C B, SOCIETE ANONYME (BE) 1979-01-30 US disclosed
US-4079179-A 6-Loweralkoxy or loweralkylthio-3-cephem-4-carboxylic acids MERCK & CO., INC. (US) 1978-03-14 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4071512-A Preparation of 1-oxapenicillins and intermediates therefor QUEEN'S UNIVERSITY AT KINGSTON (CA) 1978-01-31 US disclosed
US-4005074-A Process for cleaving an imido side chain from penicillins and cephalosporins ELI LILLY AND COMPANY (US) 1977-01-25 US disclosed
US-4001239-A CEPHALOSPORIN CLEAVAGE PROCESS ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3994888-A Cephalosporin cleavage process ELI LILLY AND COMPANY (US) 1976-11-30 US disclosed
US-3939270-A INFECTIOUS DISEASES ASTRA LAKEMEDEL AKTIEBOLAG (SW) 1976-02-17 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 (2 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H CYP2D6 2350/4885SRC 3073/4885DPP4 1985/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H CYP2D6 2350/4885SRC 3073/4885DPP4 1985/4885

“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.