SCHEMBL19865063

SCHEMBL19865063

C[C@@H]1CCN(C)c2ccc(N3CCCN(CC(F)(F)F)CC3)nc2N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.36
▸ ATR Q13535 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ CASP4 P49662 1/20 0.31
▸ CASP5 P51878 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ KHK P50053 1/20 0.30
▸ RET P07949 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
SCHEMBL20632972 0.82 KMT2A (0.35) HPGDSATRCASP1CASP4CASP5
SCHEMBL16238209 0.81 HPGDS (0.37) HPGDSCASP1CASP4CASP5KHK
SCHEMBL19670178 0.78 CASP1 (0.40) CASP1CASP4CASP5
SCHEMBL19670180 0.72 HRH3 (0.34) HPGDSATRCASP1CASP4CASP5
SCHEMBL19865041 0.70 MAP4K4 (0.45) ATRDRD2
SCHEMBL19365307 0.67 ALOX5 (0.33) —
SCHEMBL19865061 0.65 HTR3A (0.41) —
SCHEMBL19365510 0.63 CHRNA3 (0.34) —
SCHEMBL27559338 0.61 HRH3 (0.67) —
SCHEMBL25041785 0.61 HPGDS (0.39) HPGDSCASP1CASP4CASP5DRD2

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HPGDS 1307/4885ATR 1768/4885CASP1 356/4885

“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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