SCHEMBL1473553

SCHEMBL1473553

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SLC6A4 P31645 1/20 0.50
CTSC P53634 1/20 0.49
PTGS2 P35354 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACACB O00763 1/20 0.47
LMNA P02545 1/20 0.47
PMP22 Q01453 1/20 0.47
NLRP3 Q96P20 1/20 0.47
NOS2 P35228 2/20 0.46
ROCK2 O75116 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45

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
SCHEMBL2734777 1.00 SLC6A2 (0.52) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
SCHEMBL241905 1.00 SLC6A2 (0.52) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
Hydrochloric Acid SCHEMBL1168261 0.98 ALDH1A1 (0.52) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
Hydrochloric Acid SCHEMBL1473550 0.98 ALDH1A1 (0.52) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
Hydrochloric Acid SCHEMBL241904 0.98 ALDH1A1 (0.52) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
SCHEMBL539261 0.95 ROCK2 (0.52) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
SCHEMBL539262 0.95 ROCK2 (0.52) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
Hydrochloric Acid SCHEMBL539617 0.94 ROCK2 (0.51) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
Hydrochloric Acid SCHEMBL539618 0.94 ROCK2 (0.51) SLC6A2SLC6A3ALDH1A1SLC6A4CTSC
Hydrochloric Acid SCHEMBL9584126 0.91 FPR2 (0.54) ALDH1A1SLC6A4PTGS2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307428-B Chiral alpha unnatural amino acid and preparation method thereof by rare noble metal complex 北京元延医药科技股份有限公司 2025-01-10 CN disclosed
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2022-08-30 US disclosed
CN-105142635-B Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-07-27 CN disclosed
EP-2988743-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES INC (US) 2020-12-09 EP disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
US-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2019-05-09 US disclosed
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease EPIGEN BIOSCIENCES, INC. (US) 2018-10-18 US disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP 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-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed
WO-1999064002-A1 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 1999-12-16 WO disclosed
CN-1233238-A Acylaminoalkenylene-amide derivatives as NK1 and NK2 antagonists NOVARTIS AG (CH) 1999-10-27 CN disclosed
EP-0923550-A1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS Novartis AG (CH) 1999-06-23 EP disclosed
WO-1998007694-A1 ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS NOVARTIS AG (CH) 1998-02-26 WO disclosed
WO-1994025581-A1 MODIFIED RECOMBINANT TISSUE PLASMINOGEN ACTIVATOR SOUTHERN SYDNEY AREA HEALTH SERVICE (AU) 1994-11-10 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 (7 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-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR2, LPAR4 SLC6A2 4315/4885SLC6A3 4422/4885ALDH1A1 2204/4885
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease LPAR1, LPAR4, LPAR2 SLC6A2 3908/4885SLC6A3 4067/4885ALDH1A1 1649/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 SLC6A2 837/4885SLC6A3 733/4885ALDH1A1 2381/4885
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 SLC6A2 4690/4885SLC6A3 4237/4885ALDH1A1 1693/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 SLC6A2 726/4885SLC6A3 707/4885ALDH1A1 1908/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 SLC6A2 4690/4885SLC6A3 4237/4885ALDH1A1 1693/4885
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR2, LPAR4 SLC6A2 4315/4885SLC6A3 4422/4885ALDH1A1 2204/4885

“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.