SCHEMBL10311101

SCHEMBL10311101

CN1C[C@H](C(=O)O)[C@@H](c2cccc(Br)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM1A O60341 2/20 0.47
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC4 P56524 1/20 0.40
SLC6A2 P23975 2/20 0.40
GRK2 P25098 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30015787 0.83 HRH3 (0.44) KDM1ASLC6A4SLC6A3HRH3TSHR
SCHEMBL13525552 0.83 MEN1 (0.64) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL13525555 0.83 MEN1 (0.64) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL325784 0.83 HRH3 (0.45) KDM1ASLC6A4SLC6A3HRH3TSHR
SCHEMBL29302375 0.79 KDM1A (0.56) KDM1ASLC6A4SLC6A3HRH3HDAC4
SCHEMBL4134736 0.79 KDM1A (0.56) KDM1ASLC6A4SLC6A3HRH3HDAC4
SCHEMBL6902985 0.79 KDM1A (0.56) KDM1ASLC6A4SLC6A3HRH3HDAC4
SCHEMBL4134734 0.79 KDM1A (0.56) KDM1ASLC6A4SLC6A3HRH3HDAC4
SCHEMBL2762178 0.78 KDM1A (0.50) MEN1KMT2AKDM1AHDAC4
SCHEMBL10277788 0.77 PDE4B (0.57) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MEN1 1274/4885KMT2A 3281/4885KDM1A 1743/4885

“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.