SCHEMBL3125919

SCHEMBL3125919

N[C@]1(C(=O)O)CCC(C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 1.00
GRM2 Q14416 4/20 1.00
GRM3 Q14832 4/20 1.00
CYP1A2 P05177 4/20 1.00
CYP2C19 P33261 4/20 1.00
ALOX15 P16050 3/20 1.00
TDP1 Q9NUW8 2/20 1.00
GRM8 O00222 2/20 1.00
GRM6 O15303 2/20 1.00
LMNA P02545 1/20 1.00
GRM5 P41594 1/20 1.00
MTOR P42345 1/20 1.00
GRM1 Q13255 1/20 1.00
PLCB1 Q9NQ66 1/20 1.00
TSHR P16473 1/20 1.00
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL4835874 1.00 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL935371 1.00 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL481144 1.00 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL719389 1.00 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL2157698 1.00 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL179741 1.00 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL235442 1.00 GRM4 (1.00) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL2916853 0.88 GRM4 (0.78) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL4835681 0.88 GRM4 (0.78) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL7271016 0.88 GRM4 (0.78) GRM4GRM2GRM3CYP1A2CYP2C19

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-8618074-B2 GPCR enhanced neuroprotection to treat brain injury BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-12-31 US disclosed
US-20100216735-A1 GPCR ENHANCED NEUROPROTECTION TO TREAT BRAIN INJURY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-08-26 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-20100216735-A1 GPCR ENHANCED NEUROPROTECTION TO TREAT BRAIN INJURY P2RY1, P2RY2, P2RY11 GRM4 183/4885GRM2 86/4885GRM3 49/4885

“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.