SCHEMBL3609720

SCHEMBL3609720

CCC(C)c1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.52
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
KDM1A O60341 1/20 0.51
GPR119 Q8TDV5 8/20 0.48
USP30 Q70CQ3 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
LMNA P02545 1/20 0.45
CACNB4 O00305 1/20 0.45
CACNA1A O00555 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNG3 O60359 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNB3 P54284 1/20 0.45
CACNA2D1 P54289 1/20 0.45

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
SCHEMBL3606028 0.85 LMNA (0.44) KDM4ELMNA
SCHEMBL7406792 0.81 KDM1A (0.50) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL19839235 0.80 PDE4B (0.64) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL21765007 0.80 KDM1A (0.57) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL74564 0.80 KDM1A (0.57) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL3616695 0.79 KDM1A (0.52) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL3253832 0.79 KDM1A (0.52) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL13462918 0.79 KDM1A (0.52) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL68971 0.79 KDM1A (0.56) PDE4DPDE4APDE4BPDE4CKDM1A
SCHEMBL69206 0.79 KDM1A (0.56) PDE4DPDE4APDE4BPDE4CKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 PDE4D 3184/4885PDE4A 2244/4885PDE4B 3220/4885

“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.