SCHEMBL19652198

SCHEMBL19652198

CN(C(=O)C(C)(C)C)C1CCN(c2ccnc(C#N)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.59
CTSS P25774 13/20 0.48
RIPK1 Q13546 1/20 0.45
HRH4 Q9H3N8 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL19658747 0.87 GPR119 (0.56) GPR119CTSSRIPK1HRH4HRH3
SCHEMBL19652224 0.82 GPR119 (0.48) GPR119CTSSRIPK1HRH4HRH3
SCHEMBL19652137 0.80 CTSS (0.48) GPR119CTSSRIPK1AAK1
SCHEMBL19652109 0.78 GPR119 (0.55) GPR119RIPK1HRH4HRH3AAK1
SCHEMBL19652135 0.74 AAK1 (0.39) GPR119AAK1
SCHEMBL19652111 0.74 KDM4E (0.51)
SCHEMBL19652105 0.74 KDM4E (0.54) GPR119
SCHEMBL3485936 0.74 GPR119 (1.00) GPR119
SCHEMBL19652108 0.73 TRPV1 (0.46) GPR119RIPK1AAK1
SCHEMBL19652130 0.73 ADRB1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 GPR119 988/4885CTSS 2525/4885RIPK1 2204/4885

“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.