SCHEMBL3638866

SCHEMBL3638866

CC(C)(C#N)c1cc(C(=O)O)cc(C(C)(C)C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.42
RXRB P28702 5/20 0.42
RXRG P48443 2/20 0.42
TPMT P51580 3/20 0.40
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 1/20 0.38
BLM P54132 1/20 0.38
CASP7 P55210 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
CYP19A1 P11511 1/20 0.37
UGT1A4 P22310 1/20 0.37
PDE4D Q08499 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL4388169 0.94 RXRB (0.50) RXRARXRBRXRGTPMTTP53
SCHEMBL30056963 0.91 CES2 (0.48) RXRARXRBRXRGSRD5A2ALDH1A1
SCHEMBL21609834 0.91 CES2 (0.48) RXRARXRBRXRGSRD5A2ALDH1A1
SCHEMBL5005131 0.89 CA12 (0.50) RXRARXRBRXRGTPMTTP53
SCHEMBL5007948 0.89 TPMT (0.53) RXRARXRBRXRGTPMTSMN1; SMN2
SCHEMBL29448808 0.88 HCAR1 (0.46) RXRARXRBRXRGTPMTHSD17B10
SCHEMBL30055155 0.88 TPMT (0.52) RXRARXRBTPMTALOX15HCAR1
SCHEMBL12398885 0.88 NOTUM (0.41) RXRARXRBRXRGTPMTSMN1; SMN2
SCHEMBL3934869 0.88 HCAR1 (0.46) RXRARXRBRXRGTPMTHSD17B10
SCHEMBL26146854 0.88 TPMT (0.52) RXRARXRBTPMTALOX15HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155183-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals Ltd. (CA) 2010-02-24 EP disclosed
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 US disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I RXRA 4417/4885RXRB 4028/4885RXRG 4480/4885
US-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I RXRA 3983/4885RXRB 3459/4885RXRG 4327/4885

“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.