SCHEMBL5360425

SCHEMBL5360425

N#CC1(NC(=O)[CH]CC2CCCCC2)CCN(Cc2cccc(C(N)=O)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.48
OPRM1 P35372 8/20 0.41
OPRK1 P41145 5/20 0.39
OPRL1 P41146 1/20 0.39
ACKR3 P25106 2/20 0.39
OPRD1 P41143 3/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
ROCK2 O75116 1/20 0.36
KCNH2 Q12809 2/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL5360375 0.87 CTSS (0.46) CTSSOPRM1OPRK1ACKR3KCNH2
SCHEMBL6972941 0.87 CTSS (0.59) CTSSOPRM1CYP2D6
SCHEMBL5364028 0.84 CTSS (0.43) CTSSOPRM1OPRK1OPRD1KCNH2
SCHEMBL5360926 0.80 CTSS (0.43) CTSS
SCHEMBL5375313 0.78 CTSS (0.43) CTSS
SCHEMBL5362339 0.78 CTSS (0.38) CTSS
SCHEMBL5357535 0.77 CTSS (0.43) CTSSOPRM1OPRK1OPRD1KCNH2
SCHEMBL6965440 0.77 CTSS (0.54) CTSSOPRM1OPRL1
SCHEMBL5367971 0.77 CTSS (0.42) CTSS
SCHEMBL5357125 0.76 CTSS (0.44) CTSSOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003529546-A 2003-10-07 JP claimed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP claimed
US-6420364-B1 TREATING AUTOIMMUNE DISEASES,ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, OSTEOPOROSIS, BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-16 US claimed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
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 1/4885OPRM1 4823/4885OPRK1 3529/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885OPRM1 4800/4885OPRK1 3429/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885OPRM1 4800/4885OPRK1 3429/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885OPRM1 4834/4885OPRK1 3474/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885OPRM1 4800/4885OPRK1 3429/4885

“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.