SCHEMBL1561408

SCHEMBL1561408

CC1(C)OB(c2ccc(OCCCN3CCN(S(C)(=O)=O)CC3)cc2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.53
HRH1 P35367 2/20 0.53
HRH3 Q9Y5N1 9/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPK1 P28482 3/20 0.42
KCNH2 Q12809 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
SCN2A Q99250 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN3A Q9NY46 1/20 0.42
ALK Q9UM73 1/20 0.42
USP2 O75604 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
SCHEMBL22604522 0.86 RAB9A (0.54) HRH3MAPK1KCNH2ALDH1A1CYP1A2
SCHEMBL13574640 0.85 HRH1 (0.48) HRH2HRH1HRH3MAPK1KCNH2
SCHEMBL18844624 0.84 HRH3 (0.52) HRH1HRH3MAPK1KCNH2ALDH1A1
SCHEMBL18824777 0.84 HRH3 (0.56) HRH1HRH3KCNH2
SCHEMBL237631 0.83 HRH3 (0.58) HRH1HRH3KCNH2
SCHEMBL701173 0.82 HRH3 (0.64) HRH2HRH1HRH3MAPK1KCNH2
SCHEMBL31584023 0.81 HRH3 (0.53) HRH2HRH1HRH3MAPK1KCNH2
SCHEMBL1367081 0.79 LTA4H (0.52) HRH3CA1CA2CA9ALDH1A1
SCHEMBL17298799 0.79 HRH2 (0.63) HRH2HRH1HRH3KCNH2DRD2
SCHEMBL3265437 0.78 ALDH1A1 (0.49) CA1CA2CA9ALDH1A1

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
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 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 (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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B HRH2 349/4885HRH1 588/4885HRH3 57/4885

“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.