SCHEMBL12733110

SCHEMBL12733110

NC(C(=O)O)C1CCC(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 2/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ GRM4 Q14833 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ DPP4 P27487 2/20 0.42
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ SLC18A3 Q16572 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL28171748 0.79 AKR1C3 (0.47) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL20838768 0.79 KCNH2 (0.48) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL8433018 0.79 SLC18A3 (0.41) AKR1C3AKR1C1NPC1RAB9AKIF11
SCHEMBL17025330 0.79 KCNH2 (0.48) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL14379232 0.79 KCNH2 (0.48) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL14379229 0.79 KCNH2 (0.48) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
Carbamic Acid SCHEMBL9679981 0.78 AKR1C3 (0.59) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL5368274 0.78 FFAR1 (0.45) AKR1C3AKR1C1NPC1RAB9AKIF11
SCHEMBL5368277 0.78 AKR1C3 (0.44) AKR1C3AKR1C1NPC1RAB9AKIF11
Bicarbonate SCHEMBL1720488 0.78 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ASIGMAR1

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 12 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-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
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-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 (2 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 GRM1 577/4885GRM2 543/4885GRM4 1528/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS GRM1 577/4885GRM2 543/4885GRM4 1528/4885

“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.

Send feedback