SCHEMBL19706277

SCHEMBL19706277

CCN1CCCN(C(=O)Nc2ccc(C(N)NCCN)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ TRPV3 Q8NET8 1/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PLG P00747 2/20 0.34
▸ PLAU P00749 2/20 0.34
▸ PLAT P00750 2/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL19670249 0.87 CA2 (0.42) CA2CA9RIPK1CHRM4CHRM5
SCHEMBL19365749 0.86 CA2 (0.42) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL17624670 0.86 CA2 (0.39) CA2CA9RIPK1CHRM4CHRM5
SCHEMBL19670123 0.82 TRPA1 (0.37) CA2CA9TRPV3CHRM4CHRM5
SCHEMBL19365573 0.80 CA2 (0.39) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19699111 0.79 CA2 (0.38) CA2CA9TRPV3SLC1A3SLC1A2
SCHEMBL19706278 0.79 CA2 (0.38) CA2CA9TRPV3SLC1A3SLC1A2
SCHEMBL19706276 0.79 CA2 (0.38) CA2CA9TRPV3SLC1A3SLC1A2
SCHEMBL19365407 0.79 MEN1 (0.49) —
SCHEMBL19670366 0.79 NAMPT (0.42) CA2CA9CHRM4CHRM5CHRM1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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 CA2 4253/4885CA9 4248/4885TRPV3 4093/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885TRPV3 4093/4885

“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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