SCHEMBL826425

SCHEMBL826425

O=C1[C@H](O)CCN1c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
MAP4K1 Q92918 2/20 0.35
FPR2 P25090 1/20 0.34
ROCK2 O75116 2/20 0.33
HTR2C P28335 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPY5R Q15761 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL829221 1.00 ALOX5 (0.37) ALOX5CCNA2CDK2CCNA1MAP4K1
SCHEMBL25327268 0.83 CCNA2 (0.37) CCNA2CDK2CCNA1MAP4K1
SCHEMBL16422794 0.82 FPR2 (0.48) CCNA2CDK2CCNA1FPR2ROCK2
SCHEMBL892950 0.78 PTPN1 (0.43) ALOX5FPR2ROCK2HDAC6ALDH1A1
SCHEMBL8787893 0.76 CYP17A1 (0.45) CCNA2CDK2CCNA1MAP4K1ROCK2
SCHEMBL21795283 0.76 RAD51 (0.42) CCNA2CDK2CCNA1HDAC6
SCHEMBL15632984 0.75 CCNA2 (0.35) CCNA2CDK2CCNA1MAP4K1ROCK2
SCHEMBL15632932 0.75 CCNA2 (0.35) CCNA2CDK2CCNA1MAP4K1ROCK2
SCHEMBL15633075 0.75 CCNA2 (0.35) CCNA2CDK2CCNA1MAP4K1ROCK2
SCHEMBL8606629 0.74 MCHR1 (0.41) CCNA2CDK2CCNA1FPR2ROCK2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 US disclosed
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 US disclosed
EP-2307412-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 WO disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 WO disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 US disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 US disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 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 (3 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-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 ALOX5 1247/4885CCNA2 4341/4885CDK2 2384/4885
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 ALOX5 1247/4885CCNA2 4341/4885CDK2 2384/4885
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 ALOX5 1247/4885CCNA2 4341/4885CDK2 2384/4885

“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.