SCHEMBL19705998

SCHEMBL19705998

CCc1cccc(CC)c1NC(=O)N1CCCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL19670123 0.91 TRPA1 (0.37) TRPA1TRPV3TRPV4CA2CA9
SCHEMBL19365537 0.85 CA2 (0.43) CA2CA9CNR2KDM1ARIPK1
SCHEMBL19365368 0.84 TRPA1 (0.38) TRPA1TRPV3TRPV4CA2CA9
SCHEMBL19365508 0.84 FGFR4 (0.42) CA2CA9KMOCNR2MAPK14
SCHEMBL20632523 0.84 ADORA2A (0.37) TRPV3CA2CA9KMOCNR2
SCHEMBL19670654 0.84 CA2 (0.42) CA2CA9CNR2ADORA2ACNR1
SCHEMBL16775878 0.84 KMO (0.38) TRPA1TRPV3TRPV4CA2CA9
SCHEMBL19669976 0.82 HTR2A (0.52) TRPV4CA2CA9RIPK1CNR1
SCHEMBL19670295 0.82 HTR2C (0.39) CA2CA9KMOFYN
SCHEMBL20632032 0.81 SCN9A (0.40) CA2CA9KMOCNR2ADORA2A

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 TRPA1 3603/4885TRPV3 4093/4885TRPV4 4133/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPA1 3603/4885TRPV3 4093/4885TRPV4 4133/4885

“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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