SCHEMBL7886152

SCHEMBL7886152

CCOC(=O)C(N)Cc1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
AGXT P21549 1/20 0.47
RAB9A P51151 5/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MAPK1 P28482 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
PSMB5 P28074 2/20 0.45
PSMB8 P28062 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL4784337 0.81 PIN1 (0.54) AGXTRAB9ANPC1MEN1KMT2A
SCHEMBL7888402 0.81 PIN1 (0.54) AGXTRAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL8578217 0.80 PIN1 (0.53) AGXTRAB9ANPC1MEN1KMT2A
SCHEMBL5947962 0.77 MAOB (0.52) MAOBAGXTRAB9AMAPTNPC1
SCHEMBL20543848 0.76 L3MBTL1 (0.42) MAPTTSHRMAPK1TAS1R3TAS1R1
SCHEMBL20543861 0.75 ALOX5 (0.49) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL20543885 0.75 ALDH1A1 (0.43) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL7030964 0.75 MAOB (0.50) MAOBAGXTRAB9AMAPTNPC1
SCHEMBL11227597 0.75 MAOB (0.50) MAOBAGXTRAB9AMAPTNPC1
SCHEMBL30714783 0.75 RAB9A (0.46) RAB9AMAPTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN LU, Jiasheng (CN) 2016-08-04 US disclosed
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN LU, Jiasheng (CN) 2016-08-04 US disclosed
US-9233913-B2 Amino acid derivatives for the treatment of neuropathic pain Kong, Xianqi (CA) 2016-01-12 US disclosed
US-9233913-B2 Amino acid derivatives for the treatment of neuropathic pain Kong, Xianqi (CA) 2016-01-12 US disclosed
US-20140171507-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2014-06-19 US disclosed
US-20140171507-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2014-06-19 US disclosed
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2012-08-16 US disclosed
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Kong, Xianqi (CA) 2012-08-16 US disclosed
WO-2010127439-A1 AMMO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-11-11 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 (3 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-20140171507-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF MAOB 1954/4885AGXT 691/4885RAB9A 2161/4885
US-20160220519-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF MAOB 1908/4885AGXT 691/4885RAB9A 2159/4885
US-20120208876-A1 AMINO ACID DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN GAP43, OPRL1, NGF MAOB 1954/4885AGXT 691/4885RAB9A 2161/4885

“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.