SCHEMBL12858731

SCHEMBL12858731

CN(C)CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.97
NPSR1 Q6W5P4 1/20 0.58
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.38
DNM1 Q05193 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36

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
SCHEMBL14385390 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1CHRM2CHRM1CHRM3
SCHEMBL11516130 0.74 NPSR1 (0.79) SMN1; SMN2NPSR1CHRM2CHRM1CHRM3
SCHEMBL11102433 0.73 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1ALDH1A1LMNATSHR
SCHEMBL25831437 0.72 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNATSHRPKM
SCHEMBL17284616 0.72 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1CHRM2CHRM1CHRM3
SCHEMBL7797340 0.71 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL17271755 0.71 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1CHRM2CHRM1CHRM3
SCHEMBL15779844 0.69 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1ALDH1A1LMNATSHR
SCHEMBL7797307 0.69 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1ALDH1A1THRBTSHR
SCHEMBL7797298 0.69 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1ALDH1A1THRBTSHR

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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP SMN1; SMN2 2222/4885NPSR1 1086/4885CHRM2 1029/4885

“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.