SCHEMBL321175

SCHEMBL321175

COC(=O)[C@@H]1CNC[C@H]1c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ROCK2 O75116 2/20 0.48
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 2/20 0.42
F2RL1 P55085 1/20 0.42
HDAC4 P56524 1/20 0.42
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL321174 1.00 SLC6A4 (0.50) SLC6A4SLC6A3ROCK2ALDH1A1TSHR
SCHEMBL320857 1.00 SLC6A4 (0.50) SLC6A4SLC6A3ROCK2ALDH1A1TSHR
SCHEMBL4238784 0.84 ROCK2 (0.45) SLC6A4SLC6A3ROCK2ALDH1A1KDM1A
SCHEMBL23951797 0.84 ALDH1A1 (0.45) ROCK2ALDH1A1LMNARECQL
SCHEMBL1817689 0.83 ROCK2 (0.49) SLC6A4SLC6A3ROCK2KDM1AF2RL1
SCHEMBL1817686 0.83 ROCK2 (0.49) SLC6A4SLC6A3ROCK2KDM1AF2RL1
SCHEMBL1817691 0.83 ROCK2 (0.49) SLC6A4SLC6A3ROCK2KDM1AF2RL1
SCHEMBL29352411 0.83 ROCK2 (0.49) SLC6A4SLC6A3ROCK2KDM1AF2RL1
SCHEMBL4717135 0.83 SLC6A4 (0.57) SLC6A4SLC6A3ALDH1A1TSHRNPSR1
SCHEMBL30805855 0.83 SLC6A4 (0.57) SLC6A4SLC6A3ALDH1A1TSHRNPSR1

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
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
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP 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 SLC6A4 4168/4885SLC6A3 4030/4885ROCK2 2/4885

“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.