SCHEMBL2606286

SCHEMBL2606286

C=C(C)CC/N=C/c1cccc(F)c1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
TRPV3 Q8NET8 1/20 0.38

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
SCHEMBL2100512 0.89 GPR119 (0.44) GPR119MAPTSMN1; SMN2TP53THRB
SCHEMBL2100515 0.89 GPR119 (0.44) GPR119MAPTSMN1; SMN2TP53THRB
SCHEMBL2103090 0.80 THRB (0.48) GPR119MAPTSMN1; SMN2TP53THRB
SCHEMBL28812695 0.79 GPR119 (0.54) GPR119MAPTSMN1; SMN2TP53THRB
SCHEMBL2102582 0.77 RBP4 (0.34)
SCHEMBL2102580 0.77 RBP4 (0.34)
SCHEMBL3467159 0.76 GPR119 (0.51) GPR119MAPTSMN1; SMN2TP53THRB
SCHEMBL18739558 0.74 MAPT (0.54) GPR119MAPTSMN1; SMN2TP53THRB
SCHEMBL18739546 0.73 MAPT (0.53) GPR119MAPTSMN1; SMN2TP53THRB
SCHEMBL17857192 0.73 MAPT (0.53) GPR119MAPTSMN1; SMN2TP53THRB

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-8163737-B2 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20090176769-A1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 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-20090176769-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR GPR119 142/4885MAPT 2525/4885SMN1; SMN2 3467/4885

“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.