SCHEMBL55533

SCHEMBL55533

CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.67
KCNH2 Q12809 3/20 0.62
CYP2J2 P51589 3/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2B6 P20813 1/20 0.60

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
SCHEMBL14020878 0.87 HRH1 (0.65) HRH1KCNH2
SCHEMBL10479209 0.84 HRH1 (0.63) HRH1KCNH2
SCHEMBL10568072 0.84 HRH1 (0.62) HRH1KCNH2
SCHEMBL9786914 0.83 HRH1 (0.66) HRH1KCNH2CYP2J2
SCHEMBL5694766 0.82 HRH1 (0.68) HRH1KCNH2CYP2J2
SCHEMBL16291199 0.82 KCNH2 (0.67) HRH1KCNH2CYP2J2CYP3A4
SCHEMBL6619451 0.82 HRH1 (0.64) HRH1KCNH2CYP2J2CYP3A4
SCHEMBL1108959 0.82 ATM (0.66) HRH1KCNH2
SCHEMBL28021507 0.81 HTT (0.63) HRH1KCNH2CYP2C9
SCHEMBL5728902 0.81 HRH1 (0.67) HRH1KCNH2CYP2J2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129408-B2 Pharmaceutical composition for piperidinoalkanol compounds AVENTISUB II INC. (US) 2012-03-06 US disclosed
US-7671071-B2 Polymorphic Form XVI of fexofenadine hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-02 US disclosed
US-20100021547-A1 PHARMACEUTICAL COMPOSITION FOR PIPERIDINOALKANOL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2010-01-28 US disclosed
US-20090149497-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE TEVA PHARMACEUTICALS USA, INC. 2009-06-11 US disclosed
US-20090082398-A1 CRYSTALLINE FORMS OF FEXOFENADINE HYDROCHLORIDE AND PROCESSES FOR THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. 2009-03-26 US disclosed
US-20090054486-A1 POLYMORPHIC FORM XVI OF FEXOFENADINE HYDROCHLORIDE TEVA PHARMACEUTICALS USA, INC. 2009-02-26 US disclosed
US-20090012121-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. 2009-01-08 US disclosed
US-20090012301-A1 FEXOFENADINE CRYSTAL FORM AND PROCESSES FOR ITS PREPARATION THEREOF TEVA PHARMACEUTICALS USA, INC. 2009-01-08 US disclosed
WO-2007135693-A2 INTERMEDIATES USEFUL FOR THE PREPARATION OF ANTIHISTAMINIC PIPERIDINE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2007-11-29 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 (6 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-20090012121-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE F5, CYP3A5, CYP4F8 HRH1 16/4885KCNH2 2128/4885CYP2J2 96/4885
US-20090054486-A1 POLYMORPHIC FORM XVI OF FEXOFENADINE HYDROCHLORIDE UBE2V1, XDH, F5 HRH1 67/4885KCNH2 843/4885CYP2J2 452/4885
US-20090082398-A1 CRYSTALLINE FORMS OF FEXOFENADINE HYDROCHLORIDE AND PROCESSES FOR THEIR PREPARATION HRH2, CYP4F2, CYP4F3 HRH1 5/4885KCNH2 544/4885CYP2J2 622/4885
US-20090012301-A1 FEXOFENADINE CRYSTAL FORM AND PROCESSES FOR ITS PREPARATION THEREOF CYP4F3, CYP4F2, CYP2F1 HRH1 32/4885KCNH2 299/4885CYP2J2 348/4885
US-20090149497-A1 POLYMORPHS OF FEXOFENADINE HYDROCHLORIDE F5, CYP3A5, CYP4F8 HRH1 20/4885KCNH2 2019/4885CYP2J2 129/4885
US-20100021547-A1 PHARMACEUTICAL COMPOSITION FOR PIPERIDINOALKANOL COMPOUNDS PKD1, CFTR, PKD2 HRH1 572/4885KCNH2 80/4885CYP2J2 1548/4885

“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.