SCHEMBL307992

SCHEMBL307992

COC(=O)c1cccc(CN(Cc2ccccc2)C(=O)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.54
BCHE P06276 3/20 0.54
LPAR1 Q92633 2/20 0.53
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 3/20 0.52
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.50
LPAR5 Q9H1C0 1/20 0.50
PPARG P37231 1/20 0.49
ELANE P08246 1/20 0.49

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
SCHEMBL3456951 0.89 ACHE (0.65) ACHEBCHELPAR1KMT2AL3MBTL1
SCHEMBL307148 0.86 HTT (0.58) ACHEBCHEKMT2ARAB9AMAPT
SCHEMBL7413611 0.79 TAS2R14 (0.68) MAPT
SCHEMBL16706893 0.78 LOXL2 (0.62) RAB9ATSHRMAPT
SCHEMBL307913 0.77 HTT (0.62) ACHEBCHEKMT2ATSHRHTT
SCHEMBL305141 0.76 ROCK2 (0.78) L3MBTL1NPC1RAB9A
SCHEMBL3124357 0.75 LOXL2 (0.55) RAB9ATSHRMAPTPPARG
SCHEMBL10724882 0.75 KMT2A (0.73) KMT2AL3MBTL1TSHRMAPTPPARG
SCHEMBL2188210 0.75 SMPD1 (0.76) KMT2ANPC1RAB9AMAPT
SCHEMBL2063068 0.75 SMN1; SMN2 (0.73) KMT2ANPC1RAB9AMAPT

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
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ACHE 357/4885BCHE 416/4885LPAR1 3227/4885

“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.