SCHEMBL19365368

SCHEMBL19365368

CCc1cccc(CC)c1NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N(C)CC[C@H]1C

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
▸ MAPT P10636 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ KDM1A O60341 4/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ UBE2M P61081 2/20 0.35
▸ DCUN1D1 Q96GG9 2/20 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
SCHEMBL19670214 0.91 TRPA1 (0.38) TRPA1TRPV3TRPV4MAPTMTOR
SCHEMBL19365904 0.87 MAPT (0.43) TRPV4MAPTMCHR1CA2CA9
SCHEMBL19670221 0.87 UBE2M (0.37) TRPA1TRPV3TRPV4MAPTMTOR
SCHEMBL19365708 0.85 MAPT (0.41) MAPTADORA2AKDM1AMCHR1MAOA
SCHEMBL19365366 0.85 MAPT (0.38) TRPA1TRPV3TRPV4MAPTMTOR
SCHEMBL19365596 0.85 ADORA2A (0.39) MAPTADORA2AKDM1AMCHR1MAOA
SCHEMBL19705998 0.84 TRPA1 (0.38) TRPA1TRPV3TRPV4MAPTADORA2A
SCHEMBL19365254 0.84 HTR2C (0.47) MAPTMEN1KMT2AUBE2MDCUN1D1
SCHEMBL16238261 0.84 KMT2A (0.39) TRPA1TRPV3TRPV4MAPTKDM1A
SCHEMBL19365595 0.83 MAPT (0.38) MAPTADORA2AKDM1AMAOAMAOB

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 TRPA1 3978/4885TRPV3 4464/4885TRPV4 4461/4885

“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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