SCHEMBL1673330

SCHEMBL1673330

CCCOc1ccc(C(CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 9/20 0.60
FAAH O00519 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ACACB O00763 4/20 0.46
MAPK1 P28482 1/20 0.46
ACACA Q13085 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
SCHEMBL1673331 1.00 GPR88 (0.60) GPR88FAAHSMN1; SMN2ACACBMAPK1
SCHEMBL30280602 0.90 GPR88 (0.47) GPR88ACACB
SCHEMBL12801886 0.89 GPR88 (0.54) GPR88FAAHACACB
SCHEMBL15107466 0.89 GPR88 (0.54) GPR88FAAHACACB
SCHEMBL20425203 0.86 GPR88 (0.44) GPR88FAAH
SCHEMBL15229037 0.85 ALDH1A1 (0.48) GPR88SMN1; SMN2
SCHEMBL2507657 0.84 GPR88 (0.65) GPR88
SCHEMBL1554282 0.84 GPR88 (0.65) GPR88
SCHEMBL2503502 0.84 GPR88 (0.64) GPR88
SCHEMBL1554164 0.84 GPR88 (0.64) GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-20160039795-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2016-02-11 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
CN-102695546-B Heterocylcic derivatives as inhibitors of glutaminyl cyclase PROBIODRUG AG 2014-09-10 CN disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 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 (3 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS GPR88 1678/4885FAAH 1778/4885SMN1; SMN2 4750/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS GPR88 1678/4885FAAH 1778/4885SMN1; SMN2 4750/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS GPR88 1678/4885FAAH 1778/4885SMN1; SMN2 4750/4885

“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.