SCHEMBL4993073

SCHEMBL4993073

CCC(CCC(CN)C(=O)O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
EPHX1 P07099 3/20 0.40
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
MME P08473 2/20 0.36
SHBG P04278 1/20 0.36
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 1/20 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 0.98 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2EPHX1TP53KDM4E
SCHEMBL4990481 0.95 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2EPHX1TP53MME
SCHEMBL4984644 0.92 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MME
SCHEMBL4991459 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2EPHX1TP53KDM4E
SCHEMBL4990099 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2EPHX1TP53KDM4E
SCHEMBL6061423 0.78 EPHX1 (0.45) ALDH1A1SMN1; SMN2EPHX1LMNABLM
SCHEMBL4993480 0.76 CPB2 (0.39) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4992239 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2EPHX1TP53KDM4E
SCHEMBL25429420 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2EPHX1LMNAMAPT
SCHEMBL21118050 0.75 CA2 (0.38) ALDH1A1SMN1; SMN2EPHX1MME

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 1368/4885EPHX1 4547/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALDH1A1 1627/4885SMN1; SMN2 1347/4885EPHX1 4495/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALDH1A1 1424/4885SMN1; SMN2 1393/4885EPHX1 4501/4885

“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.