SCHEMBL17618306

SCHEMBL17618306

Cc1cccn1CCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRA2A P08913 2/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL18270116 0.88 ALDH1A1 (0.39) ALDH1A1ADRA2AGRM2
SCHEMBL1345646 0.79 PKM (0.41) ALDH1A1MAPTGRM2
SCHEMBL1276978 0.78 ALDH1A1 (0.47) ALDH1A1KMT2APOLBKDM4ELMNA
SCHEMBL25634805 0.77 ALDH1A1 (0.36) ALDH1A1KMT2APOLBMAPTKDM4E
Bromide SCHEMBL15820322 0.76 ALDH1A1 (0.46) ALDH1A1KMT2APOLBMAPTKDM4E
SCHEMBL9664699 0.76 EEF2K (0.44) ALDH1A1KMT2APOLBMAPTKDM4E
SCHEMBL4686019 0.75 KDM4E (0.38) ALDH1A1POLBKDM4ELMNA
SCHEMBL25848110 0.75 DUT (0.36) ALDH1A1KDM4ELMNA
SCHEMBL12301200 0.74 EEF2K (0.46) ALDH1A1KMT2APOLBMAPTKDM4E
SCHEMBL18433170 0.74 EEF2K (0.46) ALDH1A1KMT2APOLBMAPTKDM4E

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 4 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1910/4885KMT2A 1287/4885POLB 798/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1910/4885KMT2A 1287/4885POLB 798/4885

“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.