SCHEMBL1311287

SCHEMBL1311287

COC(=O)[C@H](N)Cc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
SLC6A4 P31645 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ACACB O00763 1/20 0.51
KIF11 P52732 1/20 0.51
TPH1 P17752 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DPP4 P27487 1/20 0.49
FAP Q12884 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
F2RL1 P55085 1/20 0.49
PTGS2 P35354 1/20 0.48

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
SCHEMBL1309076 1.00 LDHA (0.59) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL7250996 1.00 LDHA (0.59) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5934842 0.98 LDHA (0.57) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7301098 0.98 LDHA (0.57) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL5934840 0.98 LDHA (0.57) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Iodide SCHEMBL28191565 0.97 LDHA (0.56) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL28190903 0.97 LDHA (0.56) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL539240 0.95 LDHA (0.54) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL539241 0.95 LDHA (0.54) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL540603 0.94 TPH1 (0.54) LDHASLC6A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 US disclosed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-7067525-B2 Compounds useful as modulators of Melanocortin Receptors and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB CO. (US) 2006-06-27 US disclosed
US-20060025403-A1 Compounds useful as modulators of melanocortin receptors and pharmaceutical compositions comprising same YU GUIXUE 2006-02-02 US disclosed
US-20030069169-A1 Co-administration of melanocortin receptor agonist and phosphodiesterase inhibitor for treatment of cyclic-AMP associated disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US disclosed
WO-2002059107-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
US-6410548-B2 THERAPY FOR OBESITY, DIABETES, SEXUAL DISORDERS MERCK & CO., INC. 2002-06-25 US disclosed
US-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MERCK SHARP & DOHME CORP. 2001-10-11 US disclosed
EP-1085869-A4 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2001-10-04 EP disclosed
US-6294534-B1 TREATMENT OF DISORDERS RESPONSIVE TO THE ACTIVATION OF MELANOCORTIN RECEPTORS, SUCH AS OBESITY, DIABETES OR MALE OR FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2001-09-25 US disclosed
EP-1085869-A1 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS Merck & Co., Inc. (US) 2001-03-28 EP disclosed
WO-1999064002-A1 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 1999-12-16 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-20030069169-A1 Co-administration of melanocortin receptor agonist and phosphodiesterase inhibitor for treatment of cyclic-AMP associated disorders MC4R, MC3R, MC1R LDHA 4737/4885SLC6A4 638/4885CYP1A2 1847/4885
US-20060025403-A1 Compounds useful as modulators of melanocortin receptors and pharmaceutical compositions comprising same MC3R, MC2R, MC4R LDHA 4665/4885SLC6A4 481/4885CYP1A2 363/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 LDHA 3306/4885SLC6A4 532/4885CYP1A2 206/4885
US-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MC5R, MC4R, MC3R LDHA 4616/4885SLC6A4 590/4885CYP1A2 1677/4885
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS CYP2D6, CYP51A1, CYP2C19 LDHA 1780/4885SLC6A4 3204/4885CYP1A2 25/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 LDHA 2715/4885SLC6A4 488/4885CYP1A2 113/4885

“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.