SCHEMBL14636981

SCHEMBL14636981

OC1CCCN(c2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.47
GPR139 Q6DWJ6 2/20 0.46
EPHX2 P34913 2/20 0.43
NOTUM Q6P988 1/20 0.43
LIPE Q05469 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
CASR P41180 2/20 0.42
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL22815763 0.91 NOTUM (0.48) ABL1NOTUMLIPECASR
SCHEMBL2444666 0.85 NOTUM (0.62) ABL1GPR139NOTUMCASR
SCHEMBL22480002 0.84 KCNA5 (0.44) ABL1EPHX2NOTUMLIPEKCNA5
SCHEMBL22816476 0.82 PIM1 (0.46) EPHX2NOTUMKDM2BCASRKCNA5
SCHEMBL1244796 0.81 FFAR4 (0.50) NOTUMLIPEKCNA5
SCHEMBL9052835 0.80 NOTUM (0.56) NOTUMCCNE2CCNE1CDK2
SCHEMBL28104259 0.80 SLC18A3 (0.55)
SCHEMBL2426703 0.79 KCNA5 (0.50) EPHX2KCNA5
SCHEMBL29471932 0.79 KCNA5 (0.50) EPHX2KCNA5
SCHEMBL28161315 0.77 EPHX2 (0.50) EPHX2KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
WO-2013012827-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 WO disclosed
WO-2013012827-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 WO 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-20130184284-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF NPY4R, NPY2R, NPY1R ABL1 626/4885GPR139 103/4885EPHX2 1595/4885

“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.