SCHEMBL5987834

SCHEMBL5987834

CCCCNC(=O)CC(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.48
EPHX1 P07099 5/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAAA Q02083 1/20 0.46
ACHE P22303 4/20 0.44
MMP2 P08253 1/20 0.44
HPGD P15428 1/20 0.43
FAAH O00519 2/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL5986606 0.87 MCL1 (0.47) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL7325345 0.81 SMN1; SMN2 (0.59) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL5907669 0.79 CASP2 (0.48) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL20310079 0.78 CASP2 (0.47) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL28241142 0.78 CASP2 (0.47) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL13837302 0.78 USP2 (0.48) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL10631439 0.77 CASP2 (0.60) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL12495987 0.76 CASP2 (0.46) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL21081928 0.76 ACHE (0.46) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL7049109 0.76 CASP2 (0.46) CASP2EPHX1MEN1KMT2ANAAA

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
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 CASP2 3704/4885EPHX1 1017/4885MEN1 1068/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 CASP2 3601/4885EPHX1 2234/4885MEN1 1004/4885

“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.