SCHEMBL5363933

SCHEMBL5363933

N#CC1(NC(=O)[CH]CC2(C(N)=O)CCCCC2)CCN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.41
HSD17B10 Q99714 9/20 0.41
CYP3A4 P08684 6/20 0.41
CYP1A2 P05177 8/20 0.41
MAPK1 P28482 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
CYP2D6 P10635 3/20 0.41
CTSK P43235 6/20 0.40
CTSS P25774 6/20 0.40
CTSB P07858 4/20 0.40
CYP2C19 P33261 4/20 0.39
ALDH1A1 P00352 6/20 0.39
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
CTSL P07711 5/20 0.37
HPGD P15428 3/20 0.37

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
SCHEMBL5360348 0.92 CTSB (0.41) USP2HSD17B10CYP3A4CYP1A2MAPK1
SCHEMBL5366950 0.92 CTSB (0.46) CYP3A4MAPK1CTSKCTSSCTSB
SCHEMBL5368600 0.85 CNR1 (0.38) SMN1; SMN2CTSKCTSSCTSBALDH1A1
SCHEMBL5364959 0.81 USP2 (0.44) USP2HSD17B10CYP3A4CYP1A2MAPK1
SCHEMBL5367124 0.81 ALDH1A1 (0.46) USP2CTSKCTSSCTSBALDH1A1
SCHEMBL5374907 0.81 TSHR (0.47) HSD17B10CYP3A4SMN1; SMN2CYP2D6CTSS
SCHEMBL5363912 0.79 CYP3A4 (0.35) HSD17B10CYP3A4CYP2D6CTSKCTSS
SCHEMBL7070901 0.79 ALDH1A1 (0.35) CTSKCTSSCTSBALDH1A1CTSL
SCHEMBL5364788 0.79 SMN1; SMN2 (0.51) SMN1; SMN2CTSSALDH1A1
SCHEMBL5372306 0.78 CTSS (0.44) SMN1; SMN2CYP2D6CTSKCTSSCTSB

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 2161/4885CYP3A4 3536/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP3A4 3508/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP3A4 3508/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 735/4885HSD17B10 2151/4885CYP3A4 3508/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB USP2 648/4885HSD17B10 2219/4885CYP3A4 3508/4885

“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.