SCHEMBL19251318

SCHEMBL19251318

C#CC(C)N1CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.38
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8135026 0.79
SCHEMBL28966918 0.77 FDPS (0.31)
SCHEMBL10155184 0.75 MC4R (0.38) MC4RCHRM2CHRM4CHRM5ADRA2A
SCHEMBL28293099 0.75 MC4R (0.38) MC4RCHRM2CHRM4CHRM5ADRA2A
SCHEMBL19250938 0.75 KDM4E (0.33)
SCHEMBL19240318 0.75
SCHEMBL1135561 0.73 MEN1 (0.33) CHRM2CYP2D6CHRM1
SCHEMBL17675447 0.73 ALDH1A1 (0.33)
SCHEMBL7518877 0.73
SCHEMBL16052393 0.72 MEN1 (0.40) CYP2D6

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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MC4R 4337/4885CHRM2 3793/4885CHRM4 4392/4885

“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.