SCHEMBL1314554

SCHEMBL1314554

N#Cc1ccc2c(c1)CCC2NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
KCNH2 Q12809 1/20 0.42
BDKRB1 P46663 3/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LRRK2 Q5S007 5/20 0.41
GAA P10253 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
AKR1C3 P42330 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
SCHEMBL14437211 0.80 TRPV1 (0.48) LMNAALDH1A1HTR1ADRD2HTR2A
SCHEMBL31371415 0.80 TRPV1 (0.48) LMNAALDH1A1HTR1ADRD2HTR2A
SCHEMBL1787459 0.80 CYP11B2 (0.56) LMNAALDH1A1L3MBTL1HTR1AHTR2A
SCHEMBL21178333 0.79 DRD2 (0.52) LMNAALDH1A1L3MBTL1DRD2BDKRB1
SCHEMBL5267967 0.79 DRD2 (0.52) LMNAALDH1A1L3MBTL1DRD2BDKRB1
SCHEMBL4049287 0.79 DRD2 (0.52) LMNAALDH1A1L3MBTL1DRD2BDKRB1
SCHEMBL31130047 0.79 DRD2 (0.52) LMNAALDH1A1L3MBTL1DRD2BDKRB1
SCHEMBL22371926 0.79 TRPV1 (0.41) LMNAALDH1A1L3MBTL1CA12CA1
SCHEMBL20843687 0.79 TRPV1 (0.41) LMNAALDH1A1L3MBTL1CA12CA1
SCHEMBL8251946 0.78 CA12 (0.44) LMNAALDH1A1HTR1ADRD2HTR2A

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 LMNA 2971/4885ALDH1A1 1495/4885L3MBTL1 3930/4885

“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.