SCHEMBL19736222

SCHEMBL19736222

CC(C)NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(C#N)ccn1)[C@H]1CCN2C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 8/20 0.39
▸ USP30 Q70CQ3 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PANK3 Q9H999 1/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ RORC P51449 2/20 0.36
▸ MAP3K12 Q12852 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL17770082 0.91 GPR6 (0.36) GPR6USP30PANK3CNR2MAP3K12
SCHEMBL17770084 0.91 GPR6 (0.36) GPR6USP30PANK3CNR2MAP3K12
SCHEMBL19736307 0.89 RPS6KA3 (0.42) CNR2MAP3K12
SCHEMBL19736506 0.89 FDPS (0.40) CNR2
SCHEMBL22239707 0.88 CNR2 (0.35) CNR2
SCHEMBL19736162 0.88 CNR2 (0.35) CNR2
SCHEMBL19736429 0.88 FGFR1 (0.39) MAP3K12
SCHEMBL19736279 0.87 TYK2 (0.38) HRH3CNR2
SCHEMBL22239575 0.87 MAP3K12 (0.36) CNR2MAP3K12
SCHEMBL19736179 0.87 HRH3 (0.37) HRH3CNR2

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR6 2859/4885USP30 198/4885HRH3 3117/4885

“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.

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