SCHEMBL1443441

SCHEMBL1443441

COc1ccc(CC2CCCN2OC(=O)C(=O)ON2CCCC2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
FFAR1 O14842 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
ATM Q13315 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DPP4 P27487 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL23458983 0.95 EPHX2 (0.47) HRH3GAAHPGDSMN1; SMN2NPC1
SCHEMBL25698247 0.80 HRH3 (0.54) HRH3GAAHPGDFFAR1SMN1; SMN2
SCHEMBL30360947 0.80 HRH3 (0.54) HRH3GAAHPGDFFAR1SMN1; SMN2
SCHEMBL11385289 0.77 HTR1A (0.55) HRH3
SCHEMBL14417553 0.75 HSD11B1 (0.55) HRH3GAAHPGDFFAR1DPP4
SCHEMBL23459119 0.75 HSD11B1 (0.55) HRH3GAAHPGDFFAR1DPP4
SCHEMBL25698281 0.75 ABHD6 (0.52) HRH3HPGDFFAR1ATMEPHX2
SCHEMBL3544684 0.73 SMN1; SMN2 (0.49) GAAHPGDSMN1; SMN2
SCHEMBL20362581 0.72 HRH3 (0.45) HRH3GAAHPGDFFAR1ATM
SCHEMBL11499924 0.71 HRH3 (0.50) HRH3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
CN-102695546-A Heterocylcic derivatives as inhibitors of glutaminyl cyclase PROBIODRUG AG 2012-09-26 CN disclosed
EP-2475428-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2012-07-18 EP 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 HRH3 1527/4885GAA 362/4885HPGD 267/4885
US-20160039795-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HRH3 1527/4885GAA 362/4885HPGD 267/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS HRH3 1527/4885GAA 362/4885HPGD 267/4885

“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.