SCHEMBL3328641

SCHEMBL3328641

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 1.00
CYP1A2 P05177 4/20 1.00
CYP2C19 P33261 3/20 1.00
ALDH1A1 P00352 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
GRM8 O00222 2/20 1.00
GRM6 O15303 2/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
ALOX15 P16050 3/20 0.65
KDM4E B2RXH2 1/20 0.65
GRM2 Q14416 4/20 0.50
GRM3 Q14832 4/20 0.50
LMNA P02545 1/20 0.50
GRM5 P41594 1/20 0.50
MTOR P42345 1/20 0.50
GRM1 Q13255 1/20 0.50
PLCB1 Q9NQ66 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
SCHEMBL659587 1.00 GRM4 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL3954836 1.00 GRM4 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL8476727 1.00 GRM4 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL659588 1.00 GRM4 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL12648585 1.00 GRM4 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL13319984 1.00 GRM4 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL1064244 0.79 CYP1A2 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL1063416 0.79 CYP1A2 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL1263461 0.79 CYP1A2 (1.00) GRM4CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL15060220 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161910-A1 Combining BACE1 Inhibitors With mGluR Agonists For Alzheimer's Disease Therapy UNIVERSITY OF CONNECTICUT 2021-06-03 US disclosed
EP-2046358-B1 INDUCTION OF ANALGESIA IN NEUROPATHIC PAIN UNIV EDINBURGH (GB) 2015-07-22 EP disclosed
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20100137344-A1 INDUCTION OF ANALGESIA IN NEUROPATHIC PAIN UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2010-06-03 US disclosed
US-20080027127-A1 Trans Pyrrolidinyl Derivates and Their Pharmaceutical Use FAUST PHARMACEUTICALS (FR) 2008-01-31 US disclosed
US-7129073-B2 Regulation of neuronal function through metabotropic glutamate receptor signaling pathways THE ROCKEFELLER UNIVERSITY (US) 2006-10-31 US disclosed
US-20060223158-A1 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-05 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 (4 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-20210161910-A1 Combining BACE1 Inhibitors With mGluR Agonists For Alzheimer's Disease Therapy BACE1, PSEN1, PSEN2 GRM4 17/4885CYP1A2 4795/4885CYP2C19 4723/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS GRM4 4466/4885CYP1A2 4732/4885CYP2C19 4485/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS GRM4 4676/4885CYP1A2 4648/4885CYP2C19 4619/4885
US-20080027127-A1 Trans Pyrrolidinyl Derivates and Their Pharmaceutical Use SUCNR1, GLRA1, CNR1 GRM4 48/4885CYP1A2 1922/4885CYP2C19 966/4885

“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.