SCHEMBL2102580

SCHEMBL2102580

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.34
CALCRL Q16602 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK14 Q16539 1/20 0.32
NOTUM Q6P988 1/20 0.32
TRPA1 O75762 1/20 0.32
CHRM4 P08173 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.31

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
SCHEMBL2102582 1.00 RBP4 (0.34) RBP4CALCRLKMT2ACYP2C9CYP2C19
SCHEMBL2100515 0.88 GPR119 (0.44)
SCHEMBL2100512 0.88 GPR119 (0.44)
SCHEMBL4076113 0.84 ABCB1 (0.33) MAPK14
SCHEMBL2103870 0.82 RBP4 (0.40) RBP4KMT2ACYP2C19CHRM4
SCHEMBL2103867 0.82 RBP4 (0.40) RBP4KMT2ACYP2C19CHRM4
SCHEMBL2103228 0.78 ERN1 (0.41) RBP4KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL2606286 0.77 GPR119 (0.42)
SCHEMBL3466609 0.74 HSD11B1 (0.44) RBP4KMT2ANOTUM
SCHEMBL2101060 0.71 MLYCD (0.36) KMT2ACYP2C9CYP2C19

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 RBP4 3048/4885CALCRL 1/4885KMT2A 4447/4885

“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.