SCHEMBL4291723

SCHEMBL4291723

Cc1cc(N)ccc1CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.50
▸ VEGFA P15692 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ SETD7 Q8WTS6 1/20 0.44
▸ GRIN2B Q13224 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA5B Q9Y2D0 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
SCHEMBL4296908 0.90 NR1H2 (0.50) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL22172319 0.87 ALDH1A1 (0.54) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL3400449 0.86 NR1H2 (0.49) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL30476377 0.85 ALDH1A1 (0.58) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL20818719 0.85 ALDH1A1 (0.58) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL15093922 0.85 MGLL (0.51) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL545916 0.85 NR1H2 (0.62) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL4298566 0.84 VEGFA (0.52) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL13333662 0.83 VEGFA (0.48) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL20150071 0.83 MGLL (0.48) VEGFAEGLN1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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 NR1H2 63/4885VEGFA 4294/4885EGLN1 502/4885
US-20140221391-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 NR1H2 63/4885VEGFA 4294/4885EGLN1 502/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 NR1H2 3187/4885VEGFA 3554/4885EGLN1 1935/4885
US-20130289048-A1 CYCLOHEXANE DERIVATIVE COMPOUND HRH2, CBR1, HRH4 NR1H2 63/4885VEGFA 4294/4885EGLN1 502/4885

“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.

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