SCHEMBL19862435

SCHEMBL19862435

Cc1ccc(C(C)C)cc1N1CCC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ACACB O00763 2/20 0.39
C5AR1 P21730 12/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
NOTUM Q6P988 1/20 0.37

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
SCHEMBL12257599 0.88 HTT (0.42) ACACBMCOLN3KDM4EHTTNOTUM
SCHEMBL19862434 0.85 ACACB (0.40) LMNAACACBC5AR1HTTTRPA1
SCHEMBL19865054 0.80 ACACB (0.41) LMNAACACBC5AR1TRPA1PTGS1
SCHEMBL12354673 0.79 ACACB (0.45) ACACBMCOLN3KDM4EHTT
SCHEMBL12074844 0.77 LMNA (0.52) LMNAC5AR1MCOLN3HTTTRPA1
SCHEMBL21009647 0.75 ACACB (0.48) LMNAACACBC5AR1KDM4EHTT
SCHEMBL16939771 0.74 LMNA (0.44) LMNAC5AR1KDM4EHTTTRPA1
SCHEMBL12958780 0.74 NOTUM (0.64) ACACBMCOLN3NOTUM
SCHEMBL16775752 0.74 NOTUM (0.64) ACACBMCOLN3NOTUM
SCHEMBL16775751 0.74 NOTUM (0.64) ACACBMCOLN3NOTUM

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 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 LMNA 3671/4885ACACB 344/4885C5AR1 4779/4885

“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.