SCHEMBL5364964

SCHEMBL5364964

CC(C)(C)CC(N)C(=O)NC1(C#N)CCN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP1A2 P05177 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP2D6 P10635 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSK P43235 10/20 0.47
CTSL P07711 11/20 0.46
CTSS P25774 7/20 0.46
CTSB P07858 4/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CTSC P53634 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
SCHEMBL5356445 0.91 CTSK (0.49) USP2HSD17B10CYP1A2MAPK1CTSK
SCHEMBL5368741 0.91 CTSC (0.46) USP2CTSKCTSLCTSSCTSB
SCHEMBL5361069 0.89 CTSC (0.42) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL5375304 0.87 FFAR4 (0.43) SMN1; SMN2CTSKCTSSCTSBALDH1A1
SCHEMBL5366061 0.84 CTSL (0.42) CTSKCTSLCTSSCTSBCTSC
SCHEMBL5363937 0.83 CTSS (0.46) USP2HSD17B10CYP1A2MAPK1CYP2D6
SCHEMBL5372334 0.82 CTSC (0.43) CTSKCTSLCTSSCTSBCTSC
SCHEMBL6106022 0.82 CTSS (0.53) CTSKCTSLCTSSCTSB
SCHEMBL5364848 0.81 CTSC (0.43) CTSKCTSLCTSSCTSBCYP3A4
SCHEMBL5368645 0.80 CTSK (0.51) USP2HSD17B10MAPK1CTSKCTSS

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-7279472-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-10-09 US disclosed
US-7265132-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-04 US disclosed
US-7056915-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-6756372-B2 FOR THERAPY OF AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, CROHN'S DISEASE, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, GUILLAIN-BARRE SYNDROME, PSORIASIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-29 US disclosed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP disclosed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US 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-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 644/4885HSD17B10 2161/4885CYP1A2 3853/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP1A2 3843/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP1A2 3843/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 735/4885HSD17B10 2151/4885CYP1A2 3701/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP1A2 3843/4885

“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.