SCHEMBL308120

SCHEMBL308120

O=[N+]([O-])c1ccc2c(c1)CC(N1CCOCC1)C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
PNMT P11086 4/20 0.46
ADRA2A P08913 3/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CYP1B1 Q16678 1/20 0.46
CTSB P07858 1/20 0.45
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
AKR1C3 P42330 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
KCNJ1 P48048 1/20 0.43

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
SCHEMBL14876134 0.87 PNMT (0.49) PNMTADRA2AADRA2BADRA2CGAA
SCHEMBL14875744 0.84 PNMT (0.50) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL2060974 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PNMTADRA2ACYP1B1
SCHEMBL2731196 0.83 PNMT (0.49) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7516598 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL2723533 0.80 PNMT (0.43) ALDH1A1SMN1; SMN2PNMTADRA2AADRA2B
SCHEMBL14875742 0.80 PNMT (0.46) PNMTADRA2AADRA2BADRA2C
SCHEMBL2910804 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL30223462 0.78 HRH3 (0.45) ALDH1A1SMN1; SMN2PNMTADRA2ACYP1B1
SCHEMBL24740685 0.76 PNMT (0.45) PNMTADRA2AADRA2BADRA2CGAA

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 8 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
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
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 ALDH1A1 3661/4885SMN1; SMN2 2901/4885PNMT 722/4885

“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.