SCHEMBL7076975

SCHEMBL7076975

CCCCCN1CCC(C#N)(NC(=O)[CH]CC(C)(C)C(N)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
S1PR4 O95977 1/20 0.32
CTSS P25774 3/20 0.32
OPRL1 P41146 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
BCHE P06276 1/20 0.31
OPRM1 P35372 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
DRD3 P35462 1/20 0.30

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
SCHEMBL7078195 0.99 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4CTSS
SCHEMBL7072664 0.97 S1PR1 (0.33) S1PR1S1PR3S1PR5S1PR4CTSS
SCHEMBL5357547 0.92 CTSS (0.33) CTSSCTSBCTSK
SCHEMBL5357508 0.86 CTSS (0.30) CTSSCTSBCTSK
SCHEMBL5368719 0.85 CTSS (0.42) CTSSCTSBCTSK
SCHEMBL4840213 0.83 CTSS (0.34) CTSSCTSBCTSK
SCHEMBL5364136 0.82 CTSS (0.32) CTSSCTSBCTSK
SCHEMBL4840261 0.82 CTSS (0.34) CTSSCTSBCTSK
SCHEMBL5364012 0.82 CTSS (0.36) CTSSOPRL1CTSBCTSKOPRM1
SCHEMBL5366731 0.81 CTSS (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB S1PR1 2783/4885S1PR3 3352/4885S1PR5 3824/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB S1PR1 2783/4885S1PR3 3352/4885S1PR5 3824/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB S1PR1 2783/4885S1PR3 3352/4885S1PR5 3824/4885

“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.