SCHEMBL16627450

SCHEMBL16627450

CCN(C[C@H]1COCCN1)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL17243880 0.86 CTSD (0.31) CTSDCTSLCTSBCTSS
SCHEMBL26926319 0.84 CTSD (0.36) CTSDCTSLCTSBCTSS
SCHEMBL5834019 0.83 CTSD (0.33) CTSDCTSLCTSBCTSS
SCHEMBL22733859 0.80 CTSD (0.35) CTSDCTSLCTSBCTSS
SCHEMBL31048215 0.76 CTSD (0.34) CTSDCTSLCTSBCTSS
SCHEMBL17969814 0.75 NAMPT (0.31) CTSDCTSLCTSBCTSS
SCHEMBL18988730 0.75 GAA (0.33)
SCHEMBL4669068 0.73 CTSD (0.35) CTSDCTSLCTSBCTSS
SCHEMBL2334851 0.72 GAA (0.32)
SCHEMBL24854873 0.72 ADRB2 (0.36)

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-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 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 (1 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 CTSD 3791/4885CTSL 2739/4885CTSB 3779/4885

“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.