SCHEMBL3597863

SCHEMBL3597863

[CH2]C(C)CC(C)N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.35
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
IDO1 P14902 1/20 0.30

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
SCHEMBL13412949 0.81 MC4R (0.38) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL27648434 0.76 MC4R (0.38) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL21450643 0.76 MC4R (0.34) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL22130933 0.74 MC4R (0.36) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL23134687 0.73 MC4R (0.39) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL8280536 0.73 MC4R (0.39) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL15304457 0.72 ALDH1A1 (0.36) MC4R
SCHEMBL10815925 0.72 MC4R (0.41) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL18870129 0.71 MC4R (0.33) MC4RCHRM2CHRM1CHRM4CHRM5
SCHEMBL24380191 0.71 MC4R (0.38) MC4RCHRM2CHRM1CHRM4CHRM5

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-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN MC4R 3945/4885CHRM2 4523/4885CHRM1 4040/4885

“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.