SCHEMBL5954545

SCHEMBL5954545

CC(C(=O)c1ccc(Cl)cc1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.66
SLC6A2 P23975 9/20 0.66
CHRNB4 P30926 6/20 0.66
CHRNA3 P32297 6/20 0.66
CHRNB2 P17787 5/20 0.66
CHRNA4 P43681 5/20 0.66
CHRNA1 P02708 4/20 0.66
CHRNG P07510 4/20 0.66
CHRNB1 P11230 4/20 0.66
CHRND Q07001 4/20 0.66
SLC6A4 P31645 3/20 0.66
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
CHRNA7 P36544 1/20 0.57
MAOB P27338 1/20 0.49
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
NTSR1 P30989 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL5953978 0.98 SLC6A2 (0.68) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL5954170 0.87 MC4R (0.57) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL5954184 0.85 PHGDH (0.55) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL7094264 0.85 OPRD1 (0.52) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL895863 0.84 SLC6A3 (0.65) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL7946750 0.84 SLC6A3 (0.60) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL17644179 0.84 SLC6A3 (0.65) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL9597385 0.83 SLC6A3 (0.61) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL17645636 0.83 SLC6A3 (0.63) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2
SCHEMBL6811754 0.83 ALDH1A1 (0.61) SLC6A3SLC6A2CHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230204512-A1 DETECTION PLATFORM AND METHOD FOR DETECTING ABUSED DRUGS NATIONAL TAIWAN UNIVERSITY (TW) 2023-06-29 US disclosed
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 SLC6A3 1816/4885SLC6A2 1143/4885CHRNB4 2731/4885
US-20060058374-A1 Urotensin II receptor agents UTS2R, PLAUR, SCTR SLC6A3 1491/4885SLC6A2 1016/4885CHRNB4 2724/4885

“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.