SCHEMBL4918871

SCHEMBL4918871

Cc1ccc(N2CCN(CC(O)Cn3nc(-c4ccc(Cl)cc4)c4c3CCNC4)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.72
HTR7 P34969 2/20 0.52
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.42

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
SCHEMBL2972618 0.86 CTSS (0.67) CTSSHTR7HTR1AHTR2A
SCHEMBL2974998 0.82 CTSS (0.71) CTSSHTR7HTR1AHTR2A
SCHEMBL2972650 0.78 CTSS (0.81) CTSS
SCHEMBL2981470 0.77 CTSS (0.69) CTSSHTR7
SCHEMBL2975986 0.75 CTSS (0.68) CTSSHTR7HTR1A
SCHEMBL2983711 0.74 CTSS (0.81) CTSS
SCHEMBL2983694 0.74 CTSS (0.83) CTSS
SCHEMBL2980448 0.73 CTSS (0.69) CTSSHTR7HTR1A
SCHEMBL2984763 0.73 CTSS (0.75) CTSS
SCHEMBL2076687 0.72 HTR7 (0.78) HTR7HTR1AHTR2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300255-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-12-04 US disclosed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 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 (2 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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885HTR7 3675/4885HTR1A 4383/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885HTR7 3675/4885HTR1A 4383/4885

“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.