SCHEMBL16147991

SCHEMBL16147991

COc1cccc(CC[C@@H](N)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 2/20 0.58
TAAR1 Q96RJ0 3/20 0.55
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
CYP1A2 P05177 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
AOC3 Q16853 1/20 0.50
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
KIF11 P52732 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL22444600 1.00 SLC1A5 (0.58) SLC1A5TAAR1MTNR1AMTNR1BCYP1A2
SCHEMBL16147990 1.00 SLC1A5 (0.58) SLC1A5TAAR1MTNR1AMTNR1BCYP1A2
SCHEMBL28741577 0.87 TAAR1 (0.54) TAAR1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL146611 0.85 TAAR1 (0.66) TAAR1CYP1A2
SCHEMBL29855157 0.85 TAAR1 (0.66) TAAR1CYP1A2
SCHEMBL146610 0.85 TAAR1 (0.66) TAAR1CYP1A2
SCHEMBL4596077 0.85 TAAR1 (0.66) TAAR1CYP1A2
SCHEMBL15802563 0.84 CYP1A2 (0.58) CYP1A2GRIK1GRIK2KIF11
SCHEMBL17194111 0.84 CYP1A2 (0.58) CYP1A2GRIK1GRIK2KIF11
SCHEMBL24440174 0.84 TAAR1 (0.53) TAAR1MTNR1AMTNR1BCYP1A2HDAC1

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
US-10344060-B2 Potent and selective inhibitors of Nav1.7 AMGEN INC. (US) 2019-07-09 US disclosed
EP-2970408-B1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 AMGEN INC (US) 2018-01-10 EP disclosed
US-20160024159-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 AMGEN INC. (US) 2016-01-28 US disclosed
EP-2970408-A2 POTENT AND SELECTIVE INHIBITORS OF Nav1.7 Amgen Inc. (US) 2016-01-20 EP disclosed
WO-2014165277-A2 POTENT AND SELECTIVE INHIBITORS OF Nav1.7 AMGEN INC. (US) 2014-10-09 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 (2 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-10344060-B2 Potent and selective inhibitors of Nav1.7 SCN7A, SCN9A, SCN1A SLC1A5 1893/4885TAAR1 2165/4885MTNR1A 1300/4885
US-20160024159-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 SCN7A, SCN9A, SCN1A SLC1A5 1893/4885TAAR1 2165/4885MTNR1A 1300/4885

“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.