SCHEMBL6686905

SCHEMBL6686905

O=Cc1ccc(OCC2CCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 8/20 0.58
PARP10 Q53GL7 8/20 0.58
PARP2 Q9UGN5 2/20 0.58
HPGD P15428 7/20 0.56
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2A6 P11509 1/20 0.44

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
SCHEMBL1299143 0.98 HPGD (0.58) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL1299658 0.96 HPGD (0.59) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL10906512 0.96 HPGD (0.59) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL3067625 0.95 PARP15 (0.54) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL3718600 0.94 PARP15 (0.54) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL8314306 0.94 PARP15 (0.54) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL8312964 0.94 PARP15 (0.54) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL22820830 0.89 PARP15 (0.50) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL28371333 0.86 ALDH1A1 (0.50) PARP15PARP10PARP2HPGDALDH1A1
SCHEMBL1299517 0.86 HPGD (0.61) PARP15PARP10PARP2HPGDALDH1A1

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
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 EP disclosed
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 PARP15 1715/4885PARP10 1539/4885PARP2 1070/4885

“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.