SCHEMBL3077308

SCHEMBL3077308

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 1/20 0.34
BHMT Q93088 3/20 0.33
GPR84 Q9NQS5 4/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GABRR1 P24046 2/20 0.30
SLC22A6 Q4U2R8 1/20 0.30

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
SCHEMBL3962854 1.00 S1PR2 (0.37) S1PR2S1PR1ALDH1A1BHMTGPR84
Hydrochloric Acid SCHEMBL3959721 0.98 S1PR2 (0.36) S1PR2S1PR1ALDH1A1BHMTGPR84
Hydrochloric Acid SCHEMBL3959716 0.98 S1PR2 (0.36) S1PR2S1PR1ALDH1A1BHMTGPR84
Oxalic Acid SCHEMBL27613411 0.96 S1PR2 (0.36) S1PR2S1PR1ALDH1A1BHMTGPR84
SCHEMBL3967370 0.89 S1PR2 (0.42) S1PR2S1PR1ALDH1A1GPR84FFAR1
SCHEMBL3962194 0.89 S1PR2 (0.42) S1PR2S1PR1ALDH1A1GPR84FFAR1
SCHEMBL3961814 0.87 S1PR2 (0.44) S1PR2S1PR1ALDH1A1GPR84FFAR1
SCHEMBL3963195 0.87 S1PR2 (0.44) S1PR2S1PR1ALDH1A1GPR84FFAR1
SCHEMBL28754981 0.84 S1PR2 (0.36) S1PR2S1PR1ALDH1A1BHMTLMNA
SCHEMBL3962591 0.84 S1PR2 (0.36) S1PR2S1PR1ALDH1A1BHMTLMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
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-20090036487-A1 Combinations PFIZER INC. 2009-02-05 US disclosed
US-7419981-B2 Synergistic combinations of an alpha-2-delta ligand and a cGMP phosphodieterse 5 inhibitor PFIZER INC. (US) 2008-09-02 US disclosed
EP-1536782-B1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LTD (GB) 2007-04-18 EP 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-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 US disclosed
EP-1536782-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN Pfizer Limited (GB) 2005-06-08 EP disclosed
WO-2005030184-A2 THERAPEUTIC BETA AMINOACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO disclosed
US-20050065176-A1 Combinations FIELD MARK JOHN (GB) 2005-03-24 US 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-20040157847-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-08-12 US disclosed
US-20040092522-A1 Synergistic combinations FIELD MARK JOHN (GB) 2004-05-13 US disclosed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 WO 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 (9 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-20090036487-A1 Combinations CHRNE, CHRND, CHRNG S1PR2 914/4885S1PR1 1157/4885ALDH1A1 4325/4885
US-20100227872-A1 PYRAZINE DERIVATIVES CYP3A5, TRPV5, TRPV1 S1PR2 1439/4885S1PR1 1790/4885ALDH1A1 617/4885
US-20040092522-A1 Synergistic combinations PDE2A, PDE1B, PDE1A S1PR2 593/4885S1PR1 1254/4885ALDH1A1 1358/4885
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A S1PR2 3566/4885S1PR1 4618/4885ALDH1A1 2020/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A S1PR2 3395/4885S1PR1 4348/4885ALDH1A1 3683/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A S1PR2 3482/4885S1PR1 4491/4885ALDH1A1 2297/4885
US-20050065176-A1 Combinations CHRNE, CHRND, CHRNG S1PR2 914/4885S1PR1 1157/4885ALDH1A1 4325/4885
US-20040157847-A1 Synergistic combinations PDE2A, PDE1B, PDE1A S1PR2 593/4885S1PR1 1254/4885ALDH1A1 1358/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A S1PR2 3566/4885S1PR1 4618/4885ALDH1A1 2020/4885

“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.