SCHEMBL711731

SCHEMBL711731

CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
F2 P00734 11/20 0.47
F10 P00742 8/20 0.45
PRSS1 P07477 8/20 0.45
PRSS2 P07478 8/20 0.45
PRSS3 P35030 8/20 0.45
GAA P10253 1/20 0.45
F12 P00748 6/20 0.44
F7 P08709 6/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F9 P00740 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6919952 0.88 IDO1 (0.51) IDO1F2GAAALDH1A1HPGD
SCHEMBL6921462 0.87 IDO1 (0.54) IDO1ALDH1A1HPGDHTTKDM4E
SCHEMBL1197710 0.86 LOXL2 (0.42) IDO1F2F10PRSS1PRSS2
SCHEMBL21987982 0.85 IDO1 (0.51) IDO1GAAALDH1A1HPGDHTT
SCHEMBL27669339 0.85 KDM4A (0.43) IDO1GAAHTTTP53XBP1
SCHEMBL21987969 0.85 IDO1 (0.48) IDO1GAAALDH1A1HPGDHTT
SCHEMBL27988801 0.85 IDO1 (0.53) IDO1GAAALDH1A1HPGDHTT
SCHEMBL6921464 0.85 IDO1 (0.50) IDO1GAAALDH1A1HPGDHTT
SCHEMBL27669478 0.84 GRM2 (0.43) IDO1KDM4A
SCHEMBL700928 0.84 IDO1 (0.50) IDO1GAAALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 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-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-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
US-9133147-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2015-09-15 US disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 US disclosed
US-6528503-B2 Anticoagulants MERCK & CO., INC. 2003-03-04 US disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20030013700-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2003-01-16 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002057225-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-07-25 WO 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 (5 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 IDO1 3149/4885F2 2/4885F10 24/4885
US-20030013700-A1 Thrombin inhibitors TFPI, PLAT, TFPI2 IDO1 1438/4885F2 6/4885F10 46/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI IDO1 2641/4885F2 2/4885F10 22/4885
US-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI IDO1 1670/4885F2 1/4885F10 18/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI IDO1 3082/4885F2 1/4885F10 12/4885

“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.