SCHEMBL1394355

SCHEMBL1394355

CC(C)(C)C(=O)CN1C(=O)C(N)CN(C2CCCCC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.46
CCKAR P32238 13/20 0.46
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.37

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
SCHEMBL541718 1.00 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
SCHEMBL6193195 1.00 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
SCHEMBL6178926 1.00 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
SCHEMBL19949397 1.00 CCKBR (0.46) CCKBRCCKARALDH1A1POLB
Hydrochloric Acid SCHEMBL6178190 0.99 CCKBR (0.45) CCKBRCCKARALDH1A1POLB
SCHEMBL6180501 0.99 CCKBR (0.44) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6821965 0.97 CCKBR (0.44) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6821968 0.97 CCKBR (0.44) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6824565 0.96 CCKBR (0.43) CCKBRCCKARALDH1A1POLB
Oxalic Acid SCHEMBL6824572 0.96 CCKBR (0.43) CCKBRCCKARALDH1A1POLB

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 15 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
EP-3509617-A1 CHOLECYSTOKININ 2 RECEPTOR TARGETED NIR IMAGING AND USE THEREOF On Target Laboratories, LLC (US) 2019-07-17 EP 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
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-1234818-B1 CALCIUM SALTS OF 1,5-BENZODIAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SALTS AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2004-09-08 EP disclosed
US-6747022-B2 TREATING DIGESTIVE TRACT DISEASE RESULTING FROM EXCESSIVE SECRETION OF GASTRIC ACID ZERIA PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-20030096809-A1 Calcium salts of 1,5-benzodiazepine derivatives, process for producing the salts and drugs containing the same ZERIA PHARMACEUTICAL CO., LTD. (JP) 2003-05-22 US disclosed
EP-1234818-A1 CALCIUM SALTS OF 1,5-BENZODIAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SALTS AND DRUGS CONTAINING THE SAME Zeria Pharmaceutical Co., Ltd. (JP) 2002-08-28 EP disclosed
US-6344452-B1 GASTRIN RECEPTOR ANTAGONIST, GASTROINTESTINAL DISORDERS, ETC ZERIA PHARMACEUTICALS CO., LTD. (JP) 2002-02-05 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
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 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-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 CCKBR 535/4885CCKAR 567/4885ALDH1A1 372/4885
US-20180071408-A1 CHOLECYSTOKININ 2 RECEPTOR TARGETED NIR IMAGING AND USE THEREOF CCKAR, CCKBR, GRPR CCKBR 2/4885CCKAR 1/4885ALDH1A1 4532/4885
US-10786580-B2 Cholecystokinin 2 receptor targeted NIR imaging and use thereof CCKAR, CCKBR, GRPR CCKBR 2/4885CCKAR 1/4885ALDH1A1 4532/4885
US-20030096809-A1 Calcium salts of 1,5-benzodiazepine derivatives, process for producing the salts and drugs containing the same CCKBR, CCKAR, GABRB1 CCKBR 1/4885CCKAR 2/4885ALDH1A1 2818/4885

“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.