SCHEMBL16776503

SCHEMBL16776503

CC1CCN2C[C@H]1Nc1nc(N3CCC[C@H](C(F)(F)F)C3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.45
▸ TRPV3 Q8NET8 3/20 0.42
▸ EIF2AK4 Q9P2K8 2/20 0.39
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ METAP2 P50579 2/20 0.32
▸ DGAT2 Q96PD7 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ MTOR P42345 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PRCP P42785 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 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
SCHEMBL16776499 1.00 MAP4K4 (0.45) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL19699035 0.84 MAP4K4 (0.48) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL16238834 0.84 MAP4K4 (0.48) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL16237499 0.83 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL17618336 0.83 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL20632886 0.83 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL17778379 0.83 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL16249992 0.83 MAP4K4 (0.49) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL17778528 0.82 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4PSEN1PSEN2
SCHEMBL16754566 0.82 MAP4K4 (0.46) MAP4K4TRPV3EIF2AK4PSEN1PSEN2

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 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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