SCHEMBL6923367

SCHEMBL6923367

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.50
GID4 Q8IVV7 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR2B P41595 6/20 0.46
HTR2A P28223 4/20 0.46
KDM4E B2RXH2 1/20 0.45
F2 P00734 4/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
IDO1 P14902 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
SCHEMBL23997637 1.00 HTR2C (0.50) HTR2CGID4ALDH1A1HTR2BHTR2A
SCHEMBL15298963 0.97 ALDH1A1 (0.48) HTR2CGID4ALDH1A1HTR2BHTR2A
SCHEMBL6925738 0.95 ALDH1A1 (0.48) HTR2CGID4ALDH1A1F2F10
SCHEMBL17231972 0.95 ALDH1A1 (0.48) HTR2CGID4ALDH1A1F2F10
SCHEMBL6921863 0.92 HTR2C (0.47) HTR2CGID4ALDH1A1HTR2BHTR2A
SCHEMBL23997651 0.91 HTR2C (0.46) HTR2CGID4ALDH1A1HTR2BHTR2A
SCHEMBL6924556 0.86 ALDH1A1 (0.44) HTR2CGID4ALDH1A1HTR2BHTR2A
SCHEMBL15298957 0.86 F2 (0.45) ALDH1A1F2F10PRSS1PRSS2
SCHEMBL15298949 0.85 F2 (0.44) ALDH1A1KDM4EF2F10PRSS1
SCHEMBL17231940 0.85 HTR2C (0.58) HTR2CGID4HTR2BHTR2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 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 (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-20150315141-A1 Thrombin Inhibitors F3, F2, F9 HTR2C 801/4885GID4 3650/4885ALDH1A1 4066/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI HTR2C 524/4885GID4 3422/4885ALDH1A1 4773/4885

“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.