SCHEMBL3631328

SCHEMBL3631328

CC(=Cc1ccc(N)nc1C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.53
GABRD O14764 2/20 0.53
GABRA1 P14867 2/20 0.53
GABRB1 P18505 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
GABRB2 P47870 2/20 0.53
GABRA4 P48169 2/20 0.53
GABRE P78334 2/20 0.53
GABRA6 Q16445 2/20 0.53
GABRG1 Q8N1C3 2/20 0.53
GABRG3 Q99928 2/20 0.53
GABRQ Q9UN88 2/20 0.53
AKR1C3 P42330 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 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
SCHEMBL3631325 1.00 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2275790 0.75 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2275787 0.75 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2276053 0.73 CYP3A4 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2276049 0.73 CYP3A4 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13723997 0.72 NOS2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15709344 0.71 AKR1C3 (0.41) AKR1C3APEX1SLC9A3SLC9A1ALDH1A1
SCHEMBL15709343 0.71 AKR1C3 (0.41) AKR1C3APEX1SLC9A3SLC9A1ALDH1A1
SCHEMBL2006887 0.70 AKR1C3 (0.57) AKR1C3APEX1RXRARXRBNR4A2
SCHEMBL7879488 0.70 AKR1C3 (0.57) AKR1C3APEX1RXRARXRBNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 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 (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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 GABRP 349/4885GABRD 407/4885GABRA1 139/4885

“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.