SCHEMBL10072452

SCHEMBL10072452

Cc1nccnc1NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.44
SLC29A1 Q99808 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
MITF O75030 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.34
MAP4K4 O95819 1/20 0.34
CACNA2D1 P54289 1/20 0.33
GLP1R P43220 1/20 0.33
APP P05067 1/20 0.32
FLT3 P36888 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL21394022 0.74 LRRK2 (0.40) LRRK2TRPM8LMNASMN1; SMN2MAPT
SCHEMBL2049511 0.74 LRRK2 (0.40) LRRK2LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL26537444 0.74 LRRK2 (0.40) LRRK2SLC29A1TRPM8LMNASMN1; SMN2
SCHEMBL26789545 0.73 LRRK2 (0.33) LRRK2FDPS
SCHEMBL4777192 0.72
SCHEMBL29005503 0.71 CRHR1 (0.35) TRPM8
SCHEMBL29361218 0.71 CRHR1 (0.35) TRPM8
SCHEMBL13562933 0.71 FDPS (0.59) LRRK2SMN1; SMN2MAPTL3MBTL1HTT
SCHEMBL30610263 0.71 TRPM8 (0.39) LRRK2TRPM8LMNASMN1; SMN2HTT
SCHEMBL839298 0.70

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318742-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-11-27 US disclosed
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-02 US disclosed
US-8063070-B2 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2011-11-22 US disclosed
US-7790750-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 US disclosed
US-RE40793-E1 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-23 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-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 LRRK2 3450/4885SLC29A1 953/4885TRPM8 1242/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC LRRK2 3507/4885SLC29A1 869/4885TRPM8 1352/4885

“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.