SCHEMBL5954501

SCHEMBL5954501

CN(C)CCCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
GSR P00390 2/20 0.50
GSK3B P49841 2/20 0.50
THRA P10827 5/20 0.49
THRB P10828 5/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BCL2L1 Q07817 1/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BCL2 P10415 1/20 0.47
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL11433542 0.91 MMP1 (0.57) GAATHRATHRBNPC1TSHR
SCHEMBL9670891 0.91 GSR (0.58) GSRTHRATHRBNPC1RAB9A
SCHEMBL1776744 0.89 GSR (0.62) GAAGSRGSK3BTHRATHRB
Hydrochloric Acid SCHEMBL3334657 0.87 GSR (0.63) GAAGSRGSK3BTHRATHRB
SCHEMBL9150875 0.84 THRA (0.59) GAATHRATHRBNPC1RAB9A
SCHEMBL10440428 0.84 NPC1 (0.68) GAAGSRTHRATHRBNPC1
Hydrochloric Acid SCHEMBL9725207 0.83 THRA (0.58) GAAGSRTHRATHRBNPC1
Sulfuric Acid SCHEMBL10758962 0.83 GSR (0.64) GAAGSRGSK3BTHRATHRB
SCHEMBL3822016 0.82 NPC1 (0.69) GSRTHRATHRBMEN1NPC1
SCHEMBL6824194 0.81 KMT2A (0.67) GAAGSRTHRATHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058374-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS INC. 2006-03-16 US disclosed
US-20040077529-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS, INC. 2004-04-22 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 (2 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-20040077529-A1 Urotensin II receptor agents UTS2R, PLAUR, GPR17 GAA 1031/4885GSR 2924/4885GSK3B 4878/4885
US-20060058374-A1 Urotensin II receptor agents UTS2R, PLAUR, SCTR GAA 943/4885GSR 2763/4885GSK3B 4873/4885

“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.