SCHEMBL5201062

SCHEMBL5201062

O=C(CCCCN1CCC(N2CCCCC2)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 3/20 0.59
GFER P55789 1/20 0.58
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
DRD2 P14416 2/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL17549652 0.91 ALDH1A1 (0.73) ALDH1A1KMT2AGFERL3MBTL1L3MBTL3
SCHEMBL2834503 0.86 ALDH1A1 (0.79) ALDH1A1KMT2AGFERADRA1DADRA1A
SCHEMBL13089690 0.86 L3MBTL1 (0.54) L3MBTL1L3MBTL3KDM4E
SCHEMBL5182996 0.85 ALDH1A1 (0.76) ALDH1A1KMT2AGFERADRA1DADRA1A
SCHEMBL11790502 0.84 HTR1A (0.69) ALDH1A1KMT2AADRA1AL3MBTL1DRD2
SCHEMBL10603564 0.82 ALDH1A1 (0.81) ALDH1A1KMT2AGFERADRA1DADRA1A
SCHEMBL7645836 0.82 ALDH1A1 (0.81) ALDH1A1KMT2AGFERADRA1DADRA1A
SCHEMBL13089686 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1L3MBTL3SIGMAR1
SCHEMBL7393089 0.81 ADRA1D (0.62) ADRA1DADRA1AADRA1BL3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL10606849 0.81 ALDH1A1 (0.82) ALDH1A1KMT2AGFERADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP disclosed
US-20050182093-A1 Novel compounds GLAXOSMITHKLINE S.P.A. 2005-08-18 US disclosed
US-20040152730-A1 Novel compounds SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-05 US disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 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-20050182093-A1 Novel compounds SLC10A1, AVPR2, REN ALDH1A1 1675/4885KMT2A 4427/4885GFER 4800/4885
US-20040152730-A1 Novel compounds SLC10A1, AVPR2, REN ALDH1A1 1675/4885KMT2A 4427/4885GFER 4800/4885

“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.