SCHEMBL4001005

SCHEMBL4001005

CC1(CC(CN)C(=O)O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
MME P08473 14/20 0.34
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 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
SCHEMBL4001502 0.96 MME (0.37) TSHRMME
SCHEMBL4001628 0.94 MME (0.36) TSHRMME
SCHEMBL3999986 0.92 CHRM1 (0.33) MMECHRM1AKR1A1CHRM3HTR2A
SCHEMBL3996209 0.81 CHRM1 (0.33) TSHRNFKB1CYP2C19MMECHRM1
SCHEMBL3995230 0.78 MME (0.35) MMECHRM1AKR1A1CHRM3HTR2A
SCHEMBL3994883 0.78 MME (0.35) TSHRMMECHRM1AKR1A1CHRM3
SCHEMBL3994181 0.77 MME (0.35) TSHRMMECHRM1AKR1A1CHRM3
SCHEMBL18762455 0.76 GRM1 (0.44) TSHRNFKB1CYP2C19GRIK1GRIK2
SCHEMBL18762540 0.76 GRM1 (0.44) TSHRNFKB1CYP2C19GRIK1GRIK2
SCHEMBL18775023 0.76 GRM1 (0.44) TSHRNFKB1CYP2C19GRIK1GRIK2

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
EP-1614675-A2 Amino acids with affinity for the alpha-2-delta protein Warner-Lambert Company LLC (US) 2006-01-11 EP claimed
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein BARTA NANCY SUE 2005-12-08 US claimed
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
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
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein BARTA NANCY SUE (US) 2003-10-16 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 (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 TSHR 3218/4885NFKB1 3315/4885CYP2C19 4006/4885
US-20030195251-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, CAMK2A TSHR 3493/4885NFKB1 1751/4885CYP2C19 4428/4885
US-20050272783-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TSHR 3120/4885NFKB1 2109/4885CYP2C19 3292/4885
US-20060154972-A1 Amino acids with affinity for the alpha-2-delta-protein SCN2A, OPRD1, SCN1A TSHR 2948/4885NFKB1 1879/4885CYP2C19 3299/4885
US-20060247282-A1 Methods for using amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TSHR 3218/4885NFKB1 3315/4885CYP2C19 4006/4885

“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.