SCHEMBL3962591

SCHEMBL3962591

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 3/20 0.32
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
GRIK1 P39086 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRP O00591 2/20 0.31

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
SCHEMBL28754981 1.00 S1PR2 (0.36) S1PR2S1PR1KDM4EALDH1A1GABRR1
SCHEMBL3077308 0.84 S1PR2 (0.37) S1PR2S1PR1KDM4EALDH1A1GABRR1
SCHEMBL3962854 0.84 S1PR2 (0.37) S1PR2S1PR1KDM4EALDH1A1GABRR1
SCHEMBL27186030 0.83 S1PR2 (0.36) S1PR2S1PR1ALDH1A1GABRR1LMNA
Hydrochloric Acid SCHEMBL3959721 0.82 S1PR2 (0.36) S1PR2S1PR1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL3959716 0.82 S1PR2 (0.36) S1PR2S1PR1KDM4EALDH1A1LMNA
SCHEMBL3965963 0.82 CACNA2D1 (0.38) S1PR2S1PR1KDM4EGABRR1LMNA
SCHEMBL3962147 0.82 CACNA2D1 (0.38) S1PR2S1PR1KDM4EGABRR1LMNA
SCHEMBL3962194 0.81 S1PR2 (0.42) S1PR2S1PR1ALDH1A1GRIK1TDP1
Oxalic Acid SCHEMBL27613411 0.81 S1PR2 (0.36) S1PR2S1PR1KDM4EALDH1A1LMNA

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 S1PR2 3566/4885S1PR1 4618/4885KDM4E 4058/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A S1PR2 3395/4885S1PR1 4348/4885KDM4E 3963/4885
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A S1PR2 3782/4885S1PR1 4623/4885KDM4E 3886/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A S1PR2 3482/4885S1PR1 4491/4885KDM4E 3771/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A S1PR2 3566/4885S1PR1 4618/4885KDM4E 4058/4885

“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.