SCHEMBL4486980

SCHEMBL4486980

O=C(c1ccc(OCCCN2CC3CCCC3C2)cc1)N1CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.66
▸ TSHR P16473 5/20 0.66
▸ HPGD P15428 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ POLB P06746 1/20 0.66
▸ CACNA1B Q00975 3/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.59
▸ HSD11B1 P28845 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ CACNA1H O95180 2/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ GAA P10253 1/20 0.48

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
SCHEMBL4225316 0.87 CACNA1B (0.74) ALDH1A1TSHRHPGDMAPTPOLB
SCHEMBL4621593 0.81 HRH3 (0.66) CACNA1BHRH3CACNA1HNPC1
SCHEMBL4229899 0.81 CACNA1B (0.76) ALDH1A1TSHRHPGDMAPTPOLB
Hydrochloric Acid SCHEMBL4228835 0.81 CACNA1B (0.74) ALDH1A1TSHRHPGDMAPTPOLB
Oxalic Acid SCHEMBL4507574 0.79 HRH3 (0.62) ALDH1A1CACNA1BHRH3NPC1RAB9A
SCHEMBL4622331 0.79 HRH3 (0.75) ALDH1A1HPGDHRH3
SCHEMBL14163721 0.78 HRH3 (0.79) ALDH1A1TSHRHRH3MAPK1
SCHEMBL4482326 0.78 HRH3 (0.67) ALDH1A1HPGDHRH3NPC1
SCHEMBL4621668 0.78 HRH3 (0.70) ALDH1A1HPGDHRH3
SCHEMBL4619979 0.78 HRH3 (0.70) ALDH1A1HPGDHRH3

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-7576120-B2 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-08-18 — — US disclosed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 — — EP disclosed
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. LES LABORATORATIES SERVIER (FR) 2007-08-23 — — 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 (1 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-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. HRH2, HNMT, HRH1 ALDH1A1 308/4885TSHR 1701/4885HPGD 443/4885

“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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