SCHEMBL5954184

SCHEMBL5954184

CC(C(=O)c1ccc(Cl)cc1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CHRNA1 P02708 1/20 0.50
▸ CHRNG P07510 1/20 0.50
▸ CHRNB1 P11230 1/20 0.50
▸ CHRNB2 P17787 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ CHRND Q07001 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL5813245 0.86 RAB9A (0.53) SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5954545 0.85 SLC6A3 (0.66) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10469275 0.84 HRH3 (0.49) SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3424629 0.84 ALDH1A1 (0.51) PHGDHSMN1; SMN2CHRNB2SLC6A2CHRNB4
SCHEMBL5953978 0.84 SLC6A2 (0.68) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL321368 0.84 ALDH1A1 (0.67) SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2
Hydrochloric Acid SCHEMBL9596868 0.83 HRH3 (0.48) SMN1; SMN2SLC6A3HRH3ALDH1A1TSHR
SCHEMBL5954170 0.83 MC4R (0.57) SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2
Hydrochloric Acid SCHEMBL10943241 0.83 ALDH1A1 (0.65) SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1696905 0.82 ALDH1A1 (0.56) SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2

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 PHGDH 2681/4885SMN1; SMN2 2013/4885CHRNA1 1485/4885
US-20060058374-A1 Urotensin II receptor agents UTS2R, PLAUR, SCTR PHGDH 2616/4885SMN1; SMN2 2240/4885CHRNA1 1805/4885

“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.

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