SCHEMBL12909408

SCHEMBL12909408

CN1CCC(=C2c3ccccc3CC(O)c3sccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 8/20 0.72
▸ HRH4 Q9H3N8 5/20 0.72
▸ CHRM2 P08172 5/20 0.61
▸ ADRA2A P08913 5/20 0.61
▸ CHRM1 P11229 5/20 0.61
▸ DRD1 P21728 5/20 0.61
▸ DRD3 P35462 5/20 0.61
▸ ADRA2B P18089 4/20 0.61
▸ HTR2A P28223 4/20 0.61
▸ HTR2C P28335 4/20 0.61
▸ LMNA P02545 4/20 0.61
▸ ADRA1A P35348 4/20 0.61
▸ KCNH2 Q12809 4/20 0.61
▸ HTR3A P46098 3/20 0.61
▸ ADRA2C P18825 3/20 0.61
▸ ADRA1D P25100 3/20 0.61
▸ HTR2B P41595 3/20 0.61
▸ DRD2 P14416 3/20 0.61
▸ HTR7 P34969 3/20 0.61
▸ HTR1A P08908 3/20 0.61

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
SCHEMBL11486355 0.86 HRH1 (0.62) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL12909407 0.84 HRH1 (1.00) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL11487549 0.83 HRH1 (0.58) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL20979097 0.83 HRH1 (0.58) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL11794079 0.81 SETD7 (0.64) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL10846771 0.81 HRH1 (0.57) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL20381726 0.79 HRH1 (0.54) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL20978905 0.79 HRH1 (0.54) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL20381716 0.79 HRH1 (0.54) HRH1HRH4CHRM2ADRA2ACHRM1
SCHEMBL20978787 0.78 HRH1 (0.53) HRH1HRH4CHRM2ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872025-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2011-01-18 — — US disclosed
US-7872025-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2011-01-18 — — US disclosed
US-7557128-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2009-07-07 — — US disclosed
US-7557128-B2 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2009-07-07 — — US disclosed
US-20090149502-A1 Optically active isomers of ketotifen and therapeutically active metabolites thereof ABERG A K GUNNAR 2009-06-11 — — US disclosed
US-20090149502-A1 Optically active isomers of ketotifen and therapeutically active metabolites thereof ABERG A K GUNNAR 2009-06-11 — — US disclosed
US-20080287498-A1 Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen ABERG A K GUNNAR 2008-11-20 — — US disclosed
US-20080287498-A1 Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen ABERG A K GUNNAR 2008-11-20 — — US disclosed
US-7226934-B1 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2007-06-05 — — US disclosed
US-7226934-B1 Optically active isomers of ketotifen and therapeutically active metabolites thereof BRIDGE PHARMA, INC. (US) 2007-06-05 — — 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-20080287498-A1 Having antiallergic and anti-inflammatory effects while being devoid of the severe dose-limiting sedative side effects of ketotifen OPRK1, HRH2, HRH1 HRH1 3/4885HRH4 10/4885CHRM2 1169/4885
US-20090149502-A1 Optically active isomers of ketotifen and therapeutically active metabolites thereof OPRK1, HRH1, HRH2 HRH1 2/4885HRH4 7/4885CHRM2 1267/4885

“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.

Send feedback