SCHEMBL3950824

SCHEMBL3950824

CN(C[C@@H]1COCCO1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.42
CHRM4 P08173 4/20 0.42
CHRM5 P08912 4/20 0.42
CHRM3 P20309 4/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM1 P11229 3/20 0.35
MET P08581 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HSD17B10 Q99714 2/20 0.34
GBA1 P04062 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33

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
SCHEMBL3949126 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL3949962 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL8226259 0.86 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL334985 0.85
SCHEMBL16750116 0.81 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL13223512 0.81 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL13849697 0.77 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL18433818 0.77 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL1270741 0.75 PSEN1 (0.36) CHRM2CHRM4CHRM5CHRM3NPC1
SCHEMBL1270429 0.75 PSEN1 (0.36) CHRM2CHRM4CHRM5CHRM3NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 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-20060293358-A1 Tyrosine kinase inhibitors ABL1, ERBB2, RET CHRM2 4679/4885CHRM4 3963/4885CHRM5 4045/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 CHRM2 3872/4885CHRM4 2978/4885CHRM5 3086/4885

“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.