SCHEMBL1989271

SCHEMBL1989271

CN1CCN(c2cc(-c3ccc(NC(=O)[C@H]4COc5ccccc5O4)cc3F)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ROCK2 O75116 1/20 0.51
AKT1 P31749 1/20 0.51
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 11/20 0.49
RAB9A P51151 10/20 0.49
MDM2 Q00987 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 2/20 0.48
BLM P54132 1/20 0.48
HPGD P15428 3/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL1989278 1.00 MAPT (0.51) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1987516 0.88 ROCK2 (0.64) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1987500 0.88 ROCK2 (0.64) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1986047 0.81 ROCK2 (0.72) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1986048 0.81 ROCK2 (0.72) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1987939 0.75 ROCK2 (0.59) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1990954 0.75 ROCK2 (0.73) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1990960 0.75 ROCK2 (0.73) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL22158344 0.73 MAPT (0.57) MAPTROCK2AKT1ALDH1A1L3MBTL1
SCHEMBL1987143 0.72 ROCK2 (0.72) MAPTROCK2AKT1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 MAPT 3442/4885ROCK2 4/4885AKT1 31/4885

“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.