SCHEMBL784990

SCHEMBL784990

COc1ccc(CNC2CCC3(CC2(C)C)OCCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM1A O60341 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL16612546 0.85 OPRM1 (0.40) SMN1; SMN2CYP2C19
SCHEMBL16612078 0.77 KDM1A (0.42) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL31363766 0.76 KDM1A (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL15013998 0.75 KDM1A (0.43) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL15013997 0.75 KDM1A (0.43) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL15013996 0.75 KDM1A (0.43) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL16612515 0.72 OPRM1 (0.40) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL16612162 0.72 NPY1R (0.47) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL29872380 0.72 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1KDM1A
SCHEMBL29872456 0.71 MEN1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306640-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-29 US disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US 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
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
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 (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-20220306640-A1 HYDANTOIN DERIVATIVE DDR1, DDR2, DDRGK1 SMN1; SMN2 1226/4885ALDH1A1 535/4885KDM4E 1968/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SMN1; SMN2 2971/4885ALDH1A1 1267/4885KDM4E 2727/4885

“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.