SCHEMBL3586036

SCHEMBL3586036

O=C1CC2CCCc3cccc1c32

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3B O95264 1/20 0.48
ADRA2A P08913 1/20 0.48
KCNE1 P15382 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTR3A P46098 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNH2 Q12809 1/20 0.48
SCN5A Q14524 1/20 0.48
CYP2A6 P11509 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP19A1 P11511 1/20 0.41

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
SCHEMBL11524815 0.95 HTR3B (0.47) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL830902 0.86 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL7013965 0.86 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL829382 0.85 HTR3B (0.50) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL3588169 0.77 CYP2A6 (0.42) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL9663684 0.76 CYP2A6 (0.41) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL31037184 0.76 PARP1 (0.56) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL6854090 0.76 PARP1 (0.56) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL3592301 0.76 HPGD (0.47) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL3592299 0.76 HPGD (0.47) HTR3BADRA2AKCNE1ADRA2CCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP disclosed
EP-0856514-B1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2001-06-13 EP disclosed
US-6071925-A ANTIDEPRESSANTS, ANTICONVULSANTS OR ANTIANXIETY AGENTS, ALSO FOR TREATMENT OF MEMORY LOSS IN ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-06-06 US disclosed
EP-0856514-A1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 EP disclosed
US-4853405-A Condensed pyrazole derivatives, pharmaceutical compositions and use FARMITALIA CARLO ERBA S.R.L. (IT) 1989-08-01 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 HTR3B 902/4885ADRA2A 173/4885KCNE1 1706/4885

“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.