SCHEMBL10069804

SCHEMBL10069804

O=C(Nc1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2)c1cccc(C2CCCN2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.50
▸ WDR77 Q9BQA1 1/20 0.50
▸ TMEM97 Q5BJF2 11/20 0.49
▸ SIGMAR1 Q99720 11/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ ADRA2B P18089 2/20 0.49
▸ HRH2 P25021 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ HRH1 P35367 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HTR5A P47898 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
Hydrochloric Acid SCHEMBL325268 0.99 PRMT5 (0.49) PRMT5WDR77TMEM97SIGMAR1ADRA2A
SCHEMBL325580 0.82 ROCK2 (0.52) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL326395 0.80 ROCK2 (0.73) ROCK2
SCHEMBL326316 0.78 ROCK2 (0.54) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL6296029 0.77 TMEM97 (0.62) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL6292442 0.73 TMEM97 (0.62) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL7344361 0.72 TMPRSS2 (0.69) TMEM97SIGMAR1TMPRSS2
SCHEMBL6395764 0.72 PTPN1 (0.62) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL30068954 0.71 PTGDR2 (0.47) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL1793928 0.71 TMEM97 (0.67) TMEM97SIGMAR1ADRA2AADRA2BHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 — — EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 — — US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 — — US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 — — US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 — — 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA PRMT5 436/4885WDR77 2155/4885TMEM97 2122/4885

“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.

Send feedback