SCHEMBL4990481

SCHEMBL4990481

CCC(CCC(CN)C(=O)O)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
MME P08473 4/20 0.37
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX1 P07099 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33

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
SCHEMBL4986802 0.97 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MMECHRM1AKR1A1
SCHEMBL4993073 0.95 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MMEEPHX1TP53
SCHEMBL4984644 0.93 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MMECHRM1AKR1A1
SCHEMBL4992239 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MMECHRM1AKR1A1
SCHEMBL21118050 0.79 CA2 (0.38) ALDH1A1SMN1; SMN2MMECHRM1AKR1A1
SCHEMBL4990099 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MMEEPHX1SLC1A3
SCHEMBL6061423 0.76 EPHX1 (0.45) ALDH1A1SMN1; SMN2EPHX1L3MBTL1
SCHEMBL4991459 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2EPHX1SLC1A3SLC1A2
SCHEMBL4991330 0.75 CPB2 (0.35) ALDH1A1SMN1; SMN2CHRM1AKR1A1CHRM3
SCHEMBL4001257 0.74 METAP1 (0.33) SMN1; SMN2MMECHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 ALDH1A1 1484/4885SMN1; SMN2 1368/4885MME 2393/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885SMN1; SMN2 1347/4885MME 2286/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885SMN1; SMN2 1393/4885MME 2084/4885

“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.