SCHEMBL5954549

SCHEMBL5954549

O=C(CCC1CCCN1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.45
HRH3 Q9Y5N1 7/20 0.44
ACHE P22303 1/20 0.42

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
SCHEMBL5953982 0.96 LTA4H (0.47) LTA4HALDH1A1MAPTKMT2AHRH3
SCHEMBL28747209 0.77 NPC1 (0.54) KMT2AHRH3
SCHEMBL2768439 0.76 TDP1 (0.59) ALDH1A1KMT2AHRH3ACHE
SCHEMBL679647 0.74 LTA4H (0.62) LTA4H
SCHEMBL1994100 0.73
SCHEMBL29536989 0.73
SCHEMBL11155527 0.73 HRH3 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2AHRH3
Hydrochloric Acid SCHEMBL1990328 0.72
SCHEMBL7447377 0.72 LTA4H (0.56) LTA4HHRH3
SCHEMBL20344016 0.71 SCN9A (0.58)

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 3 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
WO-2003104216-A1 UROTENSIN II RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2003-12-18 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 (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 LTA4H 211/4885ALDH1A1 2368/4885MAPT 3065/4885
US-20060058374-A1 Urotensin II receptor agents UTS2R, PLAUR, SCTR LTA4H 273/4885ALDH1A1 2877/4885MAPT 2957/4885

“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.