SCHEMBL1028252

SCHEMBL1028252

Cc1ccc2c(c1)CN(CC(F)F)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.43
CRY2 Q49AN0 1/20 0.43
USP19 O94966 1/20 0.40
ITGAV P06756 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
METAP1 P53582 2/20 0.37
GRM1 Q13255 3/20 0.36
GRM5 P41594 2/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADAM17 P78536 2/20 0.36
ELANE P08246 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19045944 0.84 IRAK4 (0.51) IRAK4
SCHEMBL1027654 0.82 PRMT5 (0.46) PER2CRY2METAP1PARP10PARP11
SCHEMBL1026421 0.81 GRM5 (0.44) USP19HTR2AHTR2CHTR2BMETAP1
SCHEMBL28558811 0.80 MEN1 (0.37) PER2CRY2USP19ITGAVHTR2A
SCHEMBL13432191 0.77 PRF1 (0.44) USP19HTR2AHTR2CHTR2BMETAP1
SCHEMBL1024966 0.77 PER2 (0.39) PER2CRY2ITGAVGRM1GRM5
SCHEMBL27004812 0.75 HDAC3 (0.41) USP19ITGAVHTR2AHTR2CHTR2B
SCHEMBL20924128 0.75 PRF1 (0.46) USP19HTR2AHTR2CHTR2BNPC1
SCHEMBL12581806 0.75 MEN1 (0.50) GRM5
SCHEMBL29620441 0.73 USP19 (0.42) PER2CRY2USP19IRAK4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 PER2 3694/4885CRY2 2811/4885USP19 4494/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 PER2 2162/4885CRY2 3101/4885USP19 1986/4885

“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.