SCHEMBL4789371

SCHEMBL4789371

COc1ccc(C2(CCC(=O)NN)OCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 5/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 3/20 0.38
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4790080 0.85 ALDH1A1 (0.49) ALDH1A1HTTKMT2AMEN1L3MBTL1
SCHEMBL11250459 0.77 SMN1; SMN2 (0.38) CA1CA2ALDH1A1KMT2APOLB
SCHEMBL10848899 0.74 MAOB (0.41) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL1609103 0.74 MAOB (0.43) CA1CA2ALDH1A1POLB
SCHEMBL30408794 0.73 NPC1 (0.49) ALDH1A1HTTKMT2AMEN1L3MBTL1
SCHEMBL8537470 0.72 ALDH1A1 (0.40) ALDH1A1HTTKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL10986863 0.72 MAOB (0.42) CA1CA2ALDH1A1
SCHEMBL2082060 0.72 CA12 (0.41) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL11239617 0.72 SLC6A4 (0.37) CA1CA2ALDH1A1CYP2C19
SCHEMBL11250705 0.72 MAOB (0.39) CA1CA2ALDH1A1KMT2APOLB

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
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA CA1 4368/4885CA2 1564/4885ALDH1A1 3968/4885

“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.