SCHEMBL661203

SCHEMBL661203

O=C(O)C1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.57
SOAT1 P35610 1/20 0.57
EPHX2 P34913 14/20 0.56
FAAH O00519 1/20 0.51
ACSL1 P33121 3/20 0.49
ACSL3 O95573 1/20 0.48
ACSL6 Q9UKU0 1/20 0.48

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
SCHEMBL661202 1.00 DGAT1 (0.57) DGAT1SOAT1EPHX2FAAHACSL1
SCHEMBL10148092 1.00 DGAT1 (0.57) DGAT1SOAT1EPHX2FAAHACSL1
SCHEMBL10186404 0.85 DGAT1 (0.53) DGAT1SOAT1EPHX2FAAH
SCHEMBL1749499 0.84 ACSL1 (0.56) DGAT1EPHX2FAAHACSL1ACSL3
SCHEMBL9572108 0.83 EPHX2 (0.57) EPHX2FAAH
SCHEMBL9572112 0.83 EPHX2 (0.57) EPHX2FAAH
SCHEMBL30045 0.83 EPHX2 (0.57) EPHX2FAAH
SCHEMBL25184897 0.83 POLB (0.51) DGAT1SOAT1EPHX2ACSL1ACSL3
SCHEMBL13255507 0.83 ALDH1A1 (0.60) DGAT1EPHX2FAAHACSL1ACSL3
SCHEMBL25184896 0.83 POLB (0.51) DGAT1SOAT1EPHX2ACSL1ACSL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103108866-B cyclohexane derivative compound DAIICHI SANKYO Co.,Ltd. (JP) 2015-09-09 CN disclosed
US-9051255-B2 Piperazinyl cyclohexane compounds as GPR38 agonists DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-09 US disclosed
US-20140221392-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
EP-2623492-B1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-05-14 EP disclosed
US-8710060-B2 Piperazinyl methyl phenyl cyclohexane compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-04-29 US disclosed
US-20130289048-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-31 US disclosed
EP-2623492-A1 CYCLOHEXANE DERIVATIVE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-07 EP disclosed
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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 (4 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-20140221392-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 DGAT1 1259/4885SOAT1 197/4885EPHX2 600/4885
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 DGAT1 1/4885SOAT1 6/4885EPHX2 1718/4885
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 DGAT1 1259/4885SOAT1 197/4885EPHX2 600/4885
US-20130289048-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 DGAT1 1259/4885SOAT1 197/4885EPHX2 600/4885

“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.