SCHEMBL5375857

SCHEMBL5375857

COc1cc(N)ccc1N1C(=O)C2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.47
GAA P10253 3/20 0.39
CRBN Q96SW2 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CYP19A1 P11511 1/20 0.36
PDE7A Q13946 2/20 0.35
PDE7B Q9NP56 2/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL5379552 0.81 ALDH1A1 (0.44) NR4A1GAACRBNMAPTALDH1A1
SCHEMBL12795791 0.76 CYP19A1 (0.34) GAACRBNALDH1A1TSHRHTT
SCHEMBL77022 0.75 GAA (0.40) GAACRBNMAPTALDH1A1KDM4E
SCHEMBL26644389 0.71 NR4A1 (0.49) NR4A1GAAMAPTALDH1A1KDM4E
SCHEMBL25797049 0.71 HTR1A (0.51) NR4A1GAAMAPTALDH1A1KDM4E
SCHEMBL76493 0.71 CYP19A1 (0.47) GAACRBNMAPTALDH1A1KDM4E
SCHEMBL5367024 0.70 NR4A1 (0.54) NR4A1GAAMAPTALDH1A1KDM4E
SCHEMBL17265438 0.69 NR4A1 (0.53) NR4A1GAAMAPTALDH1A1KDM4E
SCHEMBL15358685 0.69 NR4A1 (0.61) NR4A1GAAMAPTALDH1A1KDM4E
SCHEMBL2570589 0.69 MAPT (0.48) NR4A1GAACRBNMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 NR4A1 2915/4885GAA 1148/4885CRBN 4137/4885

“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.