SCHEMBL1021697

SCHEMBL1021697

O=C([C@H]1CCCO1)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
POLB P06746 2/20 0.55
CHRNB2 P17787 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
CHRNB3 Q05901 1/20 0.53
CHRNA6 Q15825 1/20 0.53
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
FASN P49327 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5423821 1.00 RECQL (0.56) RECQLPOLBCHRNB2CHRNA3CHRNA4
SCHEMBL591846 1.00 RECQL (0.56) RECQLPOLBCHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7658733 0.98 RECQL (0.55) RECQLPOLBCHRNB2CHRNA3CHRNA4
Bromide SCHEMBL5423837 0.98 RECQL (0.55) RECQLPOLBCHRNB2CHRNA3CHRNA4
Bromide SCHEMBL2543817 0.98 RECQL (0.55) RECQLPOLBCHRNB2CHRNA3CHRNA4
SCHEMBL10957019 0.95 RECQL (0.52) RECQLPOLBCHRNB2CHRNA3CHRNA4
SCHEMBL11508133 0.95 CHRNB2 (0.52) RECQLPOLBCHRNB2CHRNA3CHRNA4
SCHEMBL12489672 0.85 RECQL (0.63) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL28312550 0.85 RECQL (0.63) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL11969437 0.83 RECQL (0.61) RECQLPOLBALDH1A1KDM4ETSHR

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-1902053-B1 BENZOIMIDAZOLONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE INC (US) 2011-01-12 EP disclosed
US-7772239-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-20 US disclosed
US-7317022-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. (US) 2008-01-08 US disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 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-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A RECQL 3663/4885POLB 4325/4885CHRNB2 259/4885
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A RECQL 3616/4885POLB 4264/4885CHRNB2 259/4885

“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.