SCHEMBL16776362

SCHEMBL16776362

O=C(Nc1ccc2[nH]ncc2c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ JAK3 P52333 1/20 0.46
▸ ROCK1 Q13464 2/20 0.44
▸ ROCK2 O75116 4/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43

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
SCHEMBL16776322 0.89 NPC1 (0.44) TRPV1MEN1KMT2A
SCHEMBL16776329 0.86 FYN (0.42) TRPV1POLB
SCHEMBL16775829 0.86 CA2 (0.41) TRPV1MEN1KMT2A
SCHEMBL16776321 0.85 FYN (0.44) TRPV1MEN1KMT2A
SCHEMBL16776328 0.85 CA2 (0.41) TRPV1
SCHEMBL16775824 0.85 HTR2A (0.50) MEN1KMT2A
SCHEMBL16776358 0.85 HTR2C (0.48) MEN1KMT2A
SCHEMBL16776364 0.85 CA2 (0.43) TRPV1
SCHEMBL16776367 0.85 NPC1 (0.44) TRPV1MEN1KMT2A
SCHEMBL19365407 0.84 MEN1 (0.49) TRPV1MEN1POLBKMT2AJAK3

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 TRPV1 3670/4885MEN1 3676/4885POLB 961/4885

“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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