SCHEMBL1199871

SCHEMBL1199871

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 2/20 0.63
BHMT2 Q9H2M3 1/20 0.63
SLC1A2 P43004 5/20 0.53
SLC1A1 P43005 5/20 0.53
SLC1A3 P43003 4/20 0.53
GRIK1 P39086 4/20 0.53
GRIK2 Q13002 4/20 0.53
ACE2 Q9BYF1 1/20 0.47
GSR P00390 2/20 0.46
SLC7A5 Q01650 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46

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
SCHEMBL4300941 1.00 BHMT (0.63) BHMTBHMT2SLC1A2SLC1A1SLC1A3
SCHEMBL20232925 0.88 GSR (0.55) BHMTBHMT2SLC1A2SLC1A1SLC1A3
SCHEMBL4312680 0.88 BHMT (0.59) BHMTBHMT2SLC1A2SLC1A1SLC1A3
SCHEMBL21036202 0.86 ACE2 (0.67) BHMTBHMT2SLC1A2SLC1A1SLC1A3
SCHEMBL5034721 0.84 BHMT (0.60) BHMTBHMT2SLC1A2SLC1A1SLC1A3
SCHEMBL1199780 0.84 BHMT (0.60) BHMTBHMT2SLC1A2SLC1A1SLC1A3
Norvaline SCHEMBL38404 0.84
Norvaline SCHEMBL197812 0.84
Norvaline SCHEMBL21114359 0.84 SLC1A2 (0.64) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
Norvaline SCHEMBL840389 0.84 SLC1A2 (0.64) SLC1A2SLC1A1SLC1A3GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC. (US) 2014-07-24 US disclosed
US-20120329781-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC 2012-12-27 US disclosed
US-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH PFIZER INC 2011-02-17 US disclosed
US-20100081718-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER INC 2010-04-01 US 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-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
US-7064147-B2 Amino acids with affinity for the α-2-delta-protein WARNER-LAMBERT COMPANY (US) 2006-06-20 US disclosed
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein BRAMSON CANDACE (US) 2005-06-09 US disclosed
US-20040180958-A1 Method of treatment PFIZER PRODUCTS INC. 2004-09-16 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 (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-20110039899-A1 Gabapentin for the Treatment of Overactive Bladder, Stress Incontinence and BPH GABRB2, GABRB3, GABRB1 BHMT 322/4885BHMT2 469/4885SLC1A2 239/4885
US-20090036487-A1 Combinations CHRNE, CHRND, CHRNG BHMT 709/4885BHMT2 996/4885SLC1A2 423/4885
US-20040180958-A1 Method of treatment BPHL, ADRA2B, ADRB2 BHMT 333/4885BHMT2 599/4885SLC1A2 2587/4885
US-20050124669-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A BHMT 3740/4885BHMT2 3646/4885SLC1A2 29/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A BHMT 3435/4885BHMT2 3537/4885SLC1A2 31/4885
US-20120329781-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, OPRD1, ADRB2 BHMT 2493/4885BHMT2 2777/4885SLC1A2 78/4885
US-20140206670-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, OPRD1, ADRB2 BHMT 2493/4885BHMT2 2777/4885SLC1A2 78/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A BHMT 3740/4885BHMT2 3646/4885SLC1A2 29/4885
US-20100081718-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS SLC6A2, SIGMAR1, OPRL1 BHMT 2732/4885BHMT2 2715/4885SLC1A2 62/4885

“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.