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
SCHEMBL14416003 0.76 MAPK13 (0.33) KCNH2CYP11B1CYP11B2
SCHEMBL26773832 0.76 IDO1 (0.48) KCNH2
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.

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