SCHEMBL785756

SCHEMBL785756

CN(C(=O)O)C1CCN(C(=O)CCN2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CCR5 P51681 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL803844 0.82 HSD11B1 (0.45) ALDH1A1MAPTPOLBHRH3L3MBTL1
SCHEMBL2606054 0.79 NPC1 (0.62) ALDH1A1MAPTPOLBHRH3L3MBTL1
SCHEMBL2606469 0.76 L3MBTL1 (0.46) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL8433044 0.76 HSD11B1 (0.48) ALDH1A1MAPTPOLBL3MBTL1NPC1
SCHEMBL949323 0.76 ALDH1A1 (0.61) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL803599 0.75 MAPT (0.44) ALDH1A1MAPTPOLBL3MBTL1NPC1
SCHEMBL2603233 0.75 ELANE (0.46) ALDH1A1MAPTPOLBL3MBTL1NPC1
SCHEMBL3439885 0.74 ATM (0.62) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL785177 0.74 EPHX2 (0.43) ALDH1A1MAPTPOLBL3MBTL1NPC1
SCHEMBL14393796 0.74 HSD11B1 (0.52) ALDH1A1MAPTPOLBL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885MAPT 3149/4885POLB 3355/4885

“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.