SCHEMBL5502273

SCHEMBL5502273

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
OPRK1 P41145 2/20 0.40
PNMT P11086 1/20 0.40
SLC7A5 Q01650 4/20 0.38
F11 P03951 1/20 0.37

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 0.81 TAAR1 (0.49) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL5489314 0.81 TAAR1 (0.49) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL5311932 0.81 TAAR1 (0.49) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL5914073 0.81 TAAR1 (0.49) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL5205938 0.80 OPRK1 (0.44) SLC6A3OPRK1
SCHEMBL5206391 0.80 OPRK1 (0.44) SLC6A3OPRK1
SCHEMBL5948117 0.74 NPC1 (0.51) TAAR1SIGMAR1SLC7A5
SCHEMBL4001568 0.74 NPC1 (0.51) TAAR1SIGMAR1SLC7A5
SCHEMBL5914427 0.74 NPC1 (0.51) TAAR1SIGMAR1SLC7A5
SCHEMBL5914431 0.74 NPC1 (0.51) TAAR1SIGMAR1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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 (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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 TAAR1 1307/4885SLC6A2 4536/4885MAOA 995/4885

“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.