SCHEMBL13093992

SCHEMBL13093992

CCCCc1ccc(CNCC2CCC(C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 11/20 0.43
S1PR3 Q99500 11/20 0.43
S1PR2 O95136 9/20 0.43
S1PR4 O95977 6/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LPAR2 Q9HBW0 3/20 0.42
S1PR5 Q9H228 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
PLK1 P53350 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL11935114 0.87 SPHK1 (0.51) MEN1KMT2AS1PR1S1PR3S1PR2
SCHEMBL11934726 0.87 S1PR1 (0.46) MEN1KMT2AS1PR1S1PR3S1PR2
SCHEMBL13100484 0.86 HDAC6 (0.55) MEN1KMT2AS1PR1S1PR3S1PR2
SCHEMBL16480073 0.80 LMNA (0.49) MEN1KMT2AHDAC6LMNALTA4H
SCHEMBL13972889 0.79 PLK1 (0.55) MEN1KMT2AALDH1A1PLK1
SCHEMBL17656855 0.79 CXCR4 (0.59) MEN1KMT2AHDAC6LTA4H
SCHEMBL17090465 0.79 NPY5R (0.41) MEN1KMT2AS1PR1S1PR3S1PR2
SCHEMBL17090119 0.79 NPY5R (0.41) MEN1KMT2AS1PR1S1PR3S1PR2
SCHEMBL13438845 0.79 MEN1 (0.38) MEN1KMT2AS1PR1S1PR3S1PR2
SCHEMBL13564848 0.79 NPY5R (0.41) MEN1KMT2AS1PR1S1PR3S1PR2

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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MEN1 2486/4885KMT2A 2321/4885S1PR1 436/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 1233/4885KMT2A 2517/4885S1PR1 303/4885

“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.