SCHEMBL5366606

SCHEMBL5366606

N#CC1(NC(=O)[CH]CC2(C(N)=O)CCCCC2)CCN(Cc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.41
KCNH2 Q12809 5/20 0.41
FAAH O00519 3/20 0.40
CTSS P25774 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL5366315 0.92 FAAH (0.42) FAAHCTSSKDM4EALDH1A1LMNA
SCHEMBL5364807 0.90 CTSS (0.47) CTSSALDH1A1SMN1; SMN2OPRM1
SCHEMBL5372451 0.87 OPRL1 (0.43) FAAHCTSSKDM4EOPRL1SIGMAR1
SCHEMBL5359634 0.86 KCNH2 (0.40) CCR8KCNH2FAAHCTSSALDH1A1
SCHEMBL5365965 0.86 CTSS (0.43) CTSSKDM4EALDH1A1GAA
SCHEMBL5361280 0.85 ALDH1A1 (0.41) KCNH2FAAHCTSSKDM4EALDH1A1
SCHEMBL5374907 0.85 TSHR (0.47) CTSSALDH1A1SMN1; SMN2CHRM2OPRM1
SCHEMBL5360282 0.84 TSHR (0.41) CTSSALDH1A1LMNAOPRM1HTT
SCHEMBL5363169 0.83 CTSS (0.48) KCNH2CTSSSMN1; SMN2SIGMAR1
SCHEMBL5360589 0.82 JAK2 (0.40) CTSSKDM4EALDH1A1CHRM2OPRM1

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 CCR8 2692/4885KCNH2 3028/4885FAAH 624/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CCR8 2574/4885KCNH2 3076/4885FAAH 602/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CCR8 2574/4885KCNH2 3076/4885FAAH 602/4885
US-20050032792-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CCR8 2655/4885KCNH2 2677/4885FAAH 633/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CCR8 2574/4885KCNH2 3076/4885FAAH 602/4885

“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.