SCHEMBL5362156

SCHEMBL5362156

N#CC1(NC(=O)[CH]CC2(C(N)=O)CCCCC2)CCN(CC2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.41
CTSL P07711 3/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRL1 P41146 4/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL5363013 0.97 CTSS (0.39) CTSSCTSLJAK2JAK1NPFFR1
SCHEMBL5357225 0.94 CTSS (0.48) CTSSCTSLJAK2JAK1OPRL1
SCHEMBL5364168 0.94 CTSS (0.48) CTSSCTSLJAK2JAK1OPRL1
SCHEMBL5356435 0.91 CTSS (0.46) CTSSJAK2JAK1CTSBCTSK
SCHEMBL5363859 0.84 CTSS (0.37) CTSSCTSLCTSBCTSK
SCHEMBL5366613 0.81 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL5357115 0.81 CTSS (0.45) CTSSCTSLCTSBCTSK
SCHEMBL5361829 0.80 CTSS (0.41) CTSSCTSLJAK2JAK1NPFFR1
SCHEMBL5372247 0.80 CTSS (0.39) CTSSCTSLJAK2JAK1OPRL1
SCHEMBL5361100 0.80 CTSS (0.42) CTSSCTSBCTSK

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 CTSS 1/4885CTSL 9/4885JAK2 3766/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSL 9/4885JAK2 3710/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSL 9/4885JAK2 3710/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSL 8/4885JAK2 3717/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSL 9/4885JAK2 3710/4885

“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.