SCHEMBL16785571

SCHEMBL16785571

O=C(Nc1cncc(F)c1)N1CCCCNc2ccc(N3CCCC(C(F)(F)F)C3)nc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.39
▸ DGAT2 Q96PD7 5/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ BTK Q06187 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ PIM1 P11309 2/20 0.32

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
SCHEMBL16785631 0.98 TRPV3 (0.39) TRPV3DGAT2SCN10AMAP4K4EIF2AK4
SCHEMBL16785642 0.92 SCN10A (0.40) TRPV3DGAT2SCN10AMAP4K4EIF2AK4
SCHEMBL16785636 0.90 SCN10A (0.42) TRPV3DGAT2SCN10AMAP4K4EIF2AK4
SCHEMBL16785570 0.90 TRPV3 (0.39) TRPV3DGAT2SCN10AMAP4K4EIF2AK4
SCHEMBL16785543 0.89 HTR2C (0.39) TRPV3MAP4K4EIF2AK4KMT2ABTK
SCHEMBL16785645 0.89 TRPV3 (0.40) TRPV3DGAT2SCN10AMAP4K4EIF2AK4
SCHEMBL16785633 0.86 HTR2C (0.39) TRPV3MAP4K4EIF2AK4KMT2ABTK
SCHEMBL16785632 0.85 TRPV3 (0.39) TRPV3DGAT2SCN10AMAP4K4EIF2AK4
SCHEMBL16785539 0.85 TRPV3 (0.41) TRPV3SCN10AMAP4K4EIF2AK4KMT2A
SCHEMBL16785626 0.84 POLB (0.39) TRPV3DGAT2SCN10AMAP4K4EIF2AK4

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-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 TRPV3 4093/4885DGAT2 1047/4885SCN10A 3878/4885

“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.

Send feedback