SCHEMBL13438732

SCHEMBL13438732

CN(C)CCOc1cccc(NC[C@H]2CC[C@H](N)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CACNA1B Q00975 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
FAAH O00519 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LTA4H P09960 1/20 0.39
F10 P00742 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ESR1 P03372 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PRKCQ Q04759 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
SCHEMBL11934856 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CACNA1BKDM4EALDH1A1
SCHEMBL11935190 0.86 LMNA (0.43) KDM4EALDH1A1LMNAFAAHF10
SCHEMBL11934851 0.85 THRB (0.46) ALDH1A1FAAHF10PRKCQ
SCHEMBL13438715 0.85 THRB (0.46) ALDH1A1FAAHF10PRKCQ
SCHEMBL11934847 0.84 HDAC4 (0.45) KDM4EALDH1A1LMNAF10PRKCQ
SCHEMBL13438720 0.84 HDAC4 (0.45) KDM4EALDH1A1LMNAF10PRKCQ
SCHEMBL11934843 0.81 F10 (0.40) F10PRKCQ
SCHEMBL13438717 0.81 F10 (0.40) F10PRKCQ
SCHEMBL11934867 0.78 PRKCQ (0.45) F10PRKCQ
SCHEMBL13438731 0.78 PRKCQ (0.45) F10PRKCQ

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R CHRNB2 86/4885CHRNA4 138/4885CACNA1B 843/4885

“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.