SCHEMBL362031

SCHEMBL362031

Cc1ccc(Cl)c(OCC(O)C(N)C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.51
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
PKM P14618 1/20 0.39
NPC1 O15118 3/20 0.36
OPRL1 P41146 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2553248 1.00 NPSR1 (0.51) NPSR1ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL2500094 1.00 NPSR1 (0.51) NPSR1ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL2554674 0.77 NPSR1 (0.51) NPSR1ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL773203 0.77 NPSR1 (0.63) NPSR1ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL3402827 0.76 MAPT (0.52) NPSR1ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL11464064 0.75 NPSR1 (0.68) NPSR1ALDH1A1MAPTL3MBTL1HPGD
Bupranolol SCHEMBL29518497 0.74 L3MBTL1 (0.63) NPSR1MAPTL3MBTL1KMT2AMEN1
Bupranolol SCHEMBL6508337 0.74 L3MBTL1 (0.63) NPSR1MAPTL3MBTL1KMT2AMEN1
Bupranolol SCHEMBL123717 0.74 L3MBTL1 (0.63) NPSR1MAPTL3MBTL1KMT2AMEN1
Bupranolol SCHEMBL34061 0.74 L3MBTL1 (0.63) NPSR1MAPTL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552433-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS Algynomics Inc. (US) 2013-02-06 EP claimed
WO-2011126910-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS ALGYNOMICS INC. (US) 2011-10-13 WO claimed
US-20110245208-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS ALGYNOMICS INC. (US) 2011-10-06 US claimed
EP-2552433-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS Algynomics Inc. (US) 2013-02-06 EP disclosed
EP-2552433-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS Algynomics Inc. (US) 2013-02-06 EP disclosed
WO-2011126910-A3 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS ALGYNOMICS INC. (US) 2012-01-19 WO disclosed
WO-2011126910-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS ALGYNOMICS INC. (US) 2011-10-13 WO disclosed
WO-2011126910-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS ALGYNOMICS INC. (US) 2011-10-13 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-20110245208-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SOMATOSENSORY DISORDERS OPRL1, OPRD1, OPRK1 NPSR1 274/4885ALDH1A1 1285/4885MAPT 840/4885

“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.