SCHEMBL10036618

SCHEMBL10036618

CCc1cncn1Cn1cncc1CC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
CYP11B1 P15538 9/20 0.33
CYP11B2 P19099 9/20 0.33
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL10233671 0.86
SCHEMBL15996487 0.82 ADORA2A (0.33) KCNH2CYP11B1CYP11B2
SCHEMBL26773832 0.76 IDO1 (0.48) KCNH2
SCHEMBL14416003 0.76 MAPK13 (0.33) KCNH2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL25311465 0.74 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL27984850 0.74 CYP11B1 (0.62) CYP11B1CYP11B2
SCHEMBL178520 0.73
SCHEMBL17544717 0.73 CPB1 (0.30)
SCHEMBL21514091 0.73
SCHEMBL25311885 0.72 CYP11B1 (0.48) CYP11B1CYP11B2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030207-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-02-01 US disclosed
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2017-02-23 US disclosed
US-20150203634-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-07-23 US disclosed
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-02-19 US disclosed
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2015-01-29 US disclosed
US-20150025126-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-01-22 US disclosed
US-20130197210-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20130184453-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-07-18 US disclosed
US-8277846-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-02 US disclosed
US-20120172525-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20110256104-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALANDO PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-07-28 US disclosed
US-7968123-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-28 US disclosed
US-20110143944-A1 LINEAR CYCLODEXTRIN COPOLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-16 US disclosed
US-20110144190-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-06-16 US disclosed
US-7807198-B2 Compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-10-05 US disclosed
US-7375096-B1 Method of preparing a supramolecular complex containing a therapeutic agent and a multi-dimensional polymer network CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-20 US disclosed
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-06-07 US disclosed
US-20070025952-A1 Linear cyclodextrin copolymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-01 US disclosed
US-7166302-B2 Complexing agents for compositions containing inclusion complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 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 (11 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-20150025126-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK PICALM, IMMT, PAICS KCNH2 4467/4885CYP11B1 301/4885CYP11B2 250/4885
US-20110143944-A1 LINEAR CYCLODEXTRIN COPOLYMERS DDOST, SI, PDIA6 KCNH2 4400/4885CYP11B1 4/4885CYP11B2 5/4885
US-20110256104-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 KCNH2 4653/4885CYP11B1 214/4885CYP11B2 194/4885
US-20180030207-A1 LINEAR CYCLODEXTRIN COPOLYMERS DDOST, SI, PDIA6 KCNH2 4400/4885CYP11B1 4/4885CYP11B2 5/4885
US-20150031753-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 KCNH2 4653/4885CYP11B1 214/4885CYP11B2 194/4885
US-20070025952-A1 Linear cyclodextrin copolymers DDOST, SI, PDIA6 KCNH2 4400/4885CYP11B1 4/4885CYP11B2 5/4885
US-20110182864-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 KCNH2 4540/4885CYP11B1 109/4885CYP11B2 98/4885
US-20070128167-A1 Complexing agents for compositions containing inclusion complexes INTS6, EXOSC5, PCBP1 KCNH2 4653/4885CYP11B1 214/4885CYP11B2 194/4885
US-20150050233-A1 COMPOSITIONS CONTAINING INCLUSION COMPLEXES EXOSC5, EXOSC9, INTS6 KCNH2 4540/4885CYP11B1 109/4885CYP11B2 98/4885
US-20170049903-A1 COMPLEXING AGENTS FOR COMPOSITIONS CONTAINING INCLUSION COMPLEXES INTS6, EXOSC5, PCBP1 KCNH2 4653/4885CYP11B1 214/4885CYP11B2 194/4885
US-20110144190-A1 METHOD OF PREPARING A SUPRAMOLECULAR COMPLEX CONTAINING A THERAPEUTIC AGENT AND A MULTI-DIMENSIONAL POLYMER NETWORK PICALM, IMMT, PAICS KCNH2 4467/4885CYP11B1 301/4885CYP11B2 250/4885

“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.