SCHEMBL19670142

SCHEMBL19670142

CCN1CCCNc2nc(N3CCC(C(F)(F)F)C3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.42
▸ TRPV3 Q8NET8 3/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.34
▸ MBOAT4 Q96T53 1/20 0.33
▸ AKT1S1 Q96B36 1/20 0.32
▸ MAP3K12 Q12852 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
SCHEMBL19699032 0.83 MAP4K4 (0.41) MAP4K4TRPV3EIF2AK4PDE10AMBOAT4
SCHEMBL19699033 0.80 MAP4K4 (0.42) MAP4K4TRPV3EIF2AK4
SCHEMBL20733270 0.80 PDE10A (0.33) PDE10A
SCHEMBL19670180 0.76 HRH3 (0.34) —
SCHEMBL20733299 0.74 EGLN2 (0.39) —
SCHEMBL16754630 0.71 MAP4K4 (0.47) MAP4K4TRPV3EIF2AK4PDE10AMBOAT4
SCHEMBL17778528 0.71 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4PDE10A
SCHEMBL16754566 0.71 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4PDE10A
SCHEMBL19706295 0.70 FGFR4 (0.40) MAP4K4TRPV3PDE10AMAP3K12
SCHEMBL16775802 0.70 SMN1; SMN2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAP4K4 2229/4885TRPV3 4093/4885EIF2AK4 1123/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAP4K4 1898/4885TRPV3 4136/4885EIF2AK4 926/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAP4K4 2229/4885TRPV3 4093/4885EIF2AK4 1123/4885

“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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