SCHEMBL5489314

SCHEMBL5489314

C[C@H](N)Cc1cccc([C@H](C)NC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.49
SLC6A2 P23975 2/20 0.49
MAOA P21397 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CYP2A6 P11509 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
OPRK1 P41145 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PNMT P11086 1/20 0.46
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL5261400 1.00 TAAR1 (0.49) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL5311932 1.00 TAAR1 (0.49) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL5914073 1.00 TAAR1 (0.49) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL665619 0.84 GPR139 (0.46) OPRK1MEN1MAPTKMT2AEPHX2
SCHEMBL5502273 0.81 TAAR1 (0.41) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL14395967 0.81 CTSK (0.47) MAPT
SCHEMBL5948117 0.81 NPC1 (0.51) TAAR1SIGMAR1MEN1KMT2A
SCHEMBL5914427 0.81 NPC1 (0.51) TAAR1SIGMAR1MEN1KMT2A
SCHEMBL4001568 0.81 NPC1 (0.51) TAAR1SIGMAR1MEN1KMT2A
SCHEMBL5914431 0.81 NPC1 (0.51) TAAR1SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 US disclosed
US-20060161001-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-07-20 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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 (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-20060161001-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP TAAR1 3279/4885SLC6A2 1465/4885MAOA 2579/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP TAAR1 2950/4885SLC6A2 2321/4885MAOA 2987/4885
US-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 TAAR1 3572/4885SLC6A2 2055/4885MAOA 3391/4885

“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.