SCHEMBL5367858

SCHEMBL5367858

COc1ccccc1N1CCC(C#N)(NC(=O)C(N)CC2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
ADRA1A P35348 2/20 0.45
DRD3 P35462 2/20 0.45
CTSS P25774 11/20 0.44
CTSL P07711 4/20 0.43
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL5365671 0.88 CTSS (0.46) CTSSCTSLCTSBCTSK
SCHEMBL5368603 0.85 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL5366955 0.84 CTSS (0.53) CTSSCTSLCTSBCTSK
SCHEMBL5357054 0.84 CTSS (0.57) CTSSCTSLCTSBCTSKMEN1
SCHEMBL5356529 0.83 ALDH1A1 (0.44) DRD2ALDH1A1HTR1A
SCHEMBL5360434 0.83 FFAR4 (0.47) CTSSCTSLCTSBCTSKMEN1
SCHEMBL6108805 0.82 CTSS (0.69) CTSSCTSLCTSBCTSK
SCHEMBL5360351 0.81 CTSS (0.50) CTSSCTSLCTSBCTSK
SCHEMBL5357537 0.81 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL5363919 0.80 CTSS (0.49) CTSSCTSL

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 DRD2 4603/4885ADRA1A 4542/4885DRD3 4419/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB DRD2 4642/4885ADRA1A 4444/4885DRD3 4421/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB DRD2 4642/4885ADRA1A 4444/4885DRD3 4421/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB DRD2 4685/4885ADRA1A 4544/4885DRD3 4545/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB DRD2 4642/4885ADRA1A 4444/4885DRD3 4421/4885

“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.