SCHEMBL7758602

SCHEMBL7758602

CC(C)(C)OC(=O)N[C@H](CNc1ccccc1N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.50
PPARG P37231 5/20 0.50
ACE P12821 1/20 0.49
PPARD Q03181 2/20 0.48
APP P05067 2/20 0.47
IDO1 P14902 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ATM Q13315 1/20 0.44

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
SCHEMBL948895 1.00 PPARA (0.50) PPARAPPARGACEPPARDAPP
SCHEMBL645778 1.00 PPARA (0.50) PPARAPPARGACEPPARDAPP
SCHEMBL6192765 0.84 PPARA (0.47) PPARAPPARGACEPPARDAPP
SCHEMBL15620871 0.83 ACE (0.46) PPARAPPARGACEPPARDAPP
SCHEMBL21776098 0.83 CTSS (0.46) PPARAPPARGACEPPARDAPP
SCHEMBL15620873 0.83 ACE (0.46) PPARAPPARGACEPPARDAPP
SCHEMBL22687236 0.83 PPARA (0.44) PPARAPPARGACEPPARDAPP
SCHEMBL22687240 0.83 PPARA (0.44) PPARAPPARGACEPPARDAPP
SCHEMBL4072618 0.83 AAK1 (0.45) PPARAPPARGACEPPARDAPP
SCHEMBL1739279 0.83 AAK1 (0.45) PPARAPPARGACEPPARDAPP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10786580-B2 Cholecystokinin 2 receptor targeted NIR imaging and use thereof On Target Laboratories, LLC (US) 2020-09-29 US disclosed
US-10500286-B2 CCK2R-drug conjugates ENDOCYTE, INC. (US) 2019-12-10 US disclosed
US-20180071408-A1 CHOLECYSTOKININ 2 RECEPTOR TARGETED NIR IMAGING AND USE THEREOF On Target Laboratories, Inc. 2018-03-15 US disclosed
WO-2018049129-A1 CHOLECYSTOKININ 2 RECEPTOR TARGETED NIR IMAGING AND USE THEREOF On Target Laboratories, LLC (US) 2018-03-15 WO disclosed
WO-2017030859-A1 CCK2R-DRUG CONJUGATES ENDOCYTE, INC. (US) 2017-02-23 WO disclosed
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2010-06-10 US disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
WO-2008106077-A1 SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-09-04 WO disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-1085014-A1 1,5-BENZODIAZEPINE DERIVATIVES Zeria Pharmaceutical Co., Ltd. (JP) 2001-03-21 EP 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 (4 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-20180071408-A1 CHOLECYSTOKININ 2 RECEPTOR TARGETED NIR IMAGING AND USE THEREOF CCKAR, CCKBR, GRPR PPARA 1966/4885PPARG 1273/4885ACE 4471/4885
US-10786580-B2 Cholecystokinin 2 receptor targeted NIR imaging and use thereof CCKAR, CCKBR, GRPR PPARA 1966/4885PPARG 1273/4885ACE 4471/4885
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers TRPV1, TRPV4, CACNA1B PPARA 1985/4885PPARG 1142/4885ACE 2558/4885
US-10500286-B2 CCK2R-drug conjugates CCKAR, CCKBR, GIPR PPARA 1746/4885PPARG 1236/4885ACE 4312/4885

“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.