SCHEMBL3967142

SCHEMBL3967142

CCCCC[C@@H](C)C[C@H](N)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
S1PR2 O95136 1/20 0.49
S1PR1 P21453 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
CA1 P00915 1/20 0.40
SLC1A3 P43003 1/20 0.40

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
SCHEMBL3963429 1.00 GPR84 (0.50) GPR84S1PR2S1PR1ACE2GRIK1
SCHEMBL584298 0.95 S1PR2 (0.46) GPR84S1PR2S1PR1ACE2GRIK1
SCHEMBL122149 0.95 S1PR2 (0.46) GPR84S1PR2S1PR1ACE2GRIK1
SCHEMBL2909705 0.95 S1PR2 (0.46) GPR84S1PR2S1PR1ACE2GRIK1
SCHEMBL3958660 0.95 S1PR2 (0.46) GPR84S1PR2S1PR1ACE2GRIK1
SCHEMBL2909702 0.95 S1PR2 (0.46) GPR84S1PR2S1PR1ACE2GRIK1
Hydrochloric Acid SCHEMBL1199813 0.93 S1PR2 (0.45) GPR84S1PR2S1PR1ACE2GRIK1
Hydrochloric Acid SCHEMBL3140001 0.93 S1PR2 (0.45) GPR84S1PR2S1PR1ACE2GRIK1
Imagabalin SCHEMBL3961605 0.87 ALDH1A1 (0.43) GPR84S1PR2S1PR1GRIK1GRIK2
Imagabalin SCHEMBL119441 0.87 ALDH1A1 (0.43) GPR84S1PR2S1PR1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492761-B1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER LAMBERT CO (US) 2009-07-22 EP disclosed
US-7517909-B2 Amino acids with affinity for the α2δ-protein PFIZER INC (US) 2009-04-14 US disclosed
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE 2006-11-02 US disclosed
US-7112610-B2 Methods for using amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2006-09-26 US disclosed
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY S 2006-07-13 US disclosed
EP-1670452-A2 METHOD OF USE OF AMINOACIDS HAVING AFFINITY FOR THE A2D PROTEIN Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 US disclosed
EP-1614675-A2 Amino acids with affinity for the alpha-2-delta protein Warner-Lambert Company LLC (US) 2006-01-11 EP disclosed
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein BARTA NANCY SUE 2005-12-08 US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 US disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed
EP-1492761-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 US disclosed
WO-2003082807-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO 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 (5 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GPR84 1520/4885S1PR2 3566/4885S1PR1 4618/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A GPR84 1440/4885S1PR2 3395/4885S1PR1 4348/4885
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GPR84 1195/4885S1PR2 3782/4885S1PR1 4623/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A GPR84 1071/4885S1PR2 3482/4885S1PR1 4491/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A GPR84 1520/4885S1PR2 3566/4885S1PR1 4618/4885

“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.