SCHEMBL4987705

SCHEMBL4987705

CCC(CCCc1cc(C)ccc1C)CC(CN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LNPEP Q9UIQ6 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
GRIK1 P39086 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TACR1 P25103 1/20 0.32
PPARG P37231 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
SRC P12931 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL4986855 0.93 TAAR1 (0.44) TAAR1NPC1RAB9AKDM4EHTT
SCHEMBL4989241 0.91 NPC1 (0.33) TAAR1NPC1RAB9ALNPEPGRIK1
SCHEMBL4991353 0.86 TAAR1 (0.41) TAAR1NPC1RAB9AKDM4EHTT
SCHEMBL4983988 0.86 LNPEP (0.31) LNPEPHTTGRIK1ALDH1A1
SCHEMBL4989053 0.85 PPARG (0.42) TAAR1GRIK1PPARGALDH1A1
SCHEMBL4993610 0.85 TAAR1 (0.44) TAAR1NPC1RAB9ALNPEPKDM4E
SCHEMBL4991583 0.84 GRIK1 (0.33) GRIK1PPARG
SCHEMBL4989620 0.83 NPC1 (0.34) TAAR1NPC1RAB9AGRIK1L3MBTL1
SCHEMBL4983416 0.83 GRIK1 (0.44) TAAR1GRIK1L3MBTL1PPARGALDH1A1
SCHEMBL4987643 0.83 ANPEP (0.33) HTTGRIK1ALDH1A1

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 6 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
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

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 TAAR1 1437/4885NPC1 3038/4885RAB9A 1165/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A TAAR1 1172/4885NPC1 3193/4885RAB9A 1424/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A TAAR1 1489/4885NPC1 3111/4885RAB9A 1183/4885

“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.