SCHEMBL4990686

SCHEMBL4990686

CCC(CC(C)CCc1cccc(Cl)c1)C(N)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
PNMT P11086 1/20 0.42
METAP2 P50579 1/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SLC2A1 P11166 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4981809 0.89 MASP2 (0.44) MASP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4988058 0.88 PNMT (0.50) MASP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4989581 0.87 MASP2 (0.45) MASP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4995226 0.85 FFAR1 (0.42) PNMTFFAR1
SCHEMBL4987054 0.85 SMN1; SMN2 (0.43) MASP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4986971 0.84 HTR2A (0.45) TAAR1
SCHEMBL4994297 0.82 PNMT (0.49) MASP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4992928 0.82 PNMT (0.53) PNMTFFAR1ALDH1A1KMT2ASLC2A1
SCHEMBL14741391 0.81 CYSLTR2 (0.49) MASP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL3108210 0.80 CACNA2D1 (0.43) MASP2HTR3EHTR3BHTR3AHTR3D

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 MASP2 4051/4885HTR3E 1246/4885HTR3B 609/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A MASP2 3904/4885HTR3E 1323/4885HTR3B 736/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A MASP2 3961/4885HTR3E 1059/4885HTR3B 510/4885

“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.