SCHEMBL9505914

SCHEMBL9505914

COc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.76
CYP2J2 P51589 1/20 0.66
KCNH2 Q12809 1/20 0.64
CHRM3 P20309 1/20 0.62

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
SCHEMBL9504605 0.87 HRH1 (0.64) HRH1
SCHEMBL7472391 0.86 HRH1 (0.57) HRH1CYP2J2KCNH2CHRM3
SCHEMBL8983793 0.86 CHRM3 (0.61) HRH1CYP2J2CHRM3
SCHEMBL17031600 0.86 HRH1 (1.00) HRH1CYP2J2KCNH2
SCHEMBL17023774 0.85 HRH1 (0.79) HRH1CYP2J2KCNH2
SCHEMBL18609074 0.85 HRH1 (0.79) HRH1CYP2J2KCNH2
SCHEMBL17023783 0.85 HRH1 (0.79) HRH1CYP2J2KCNH2
SCHEMBL18609075 0.85 HRH1 (0.79) HRH1CYP2J2KCNH2
SCHEMBL7838031 0.84 HRH1 (0.55) HRH1CYP2J2KCNH2CHRM3
SCHEMBL17023773 0.84 HRH1 (0.77) HRH1CYP2J2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
EP-0399547-B1 USE OF 4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDYL-PHENYLALKANE DERIVATIVES FOR THE MANUFACTURE OF AN ANTIHISTAMINIC SCHAPER & BRÜMMER GMBH & CO. KG (DE) 1993-08-11 EP disclosed
US-5077301-A 4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDYLPHENYLALKANE DERIVATIVES AS ANTIHISTAMINES AND METHODS OF TREATMENT OF AN ALLERGIC RESPONSE SCHAPER & BRUEMMER GMBH & CO. KG (DE) 1991-12-31 US disclosed
EP-0399547-A2 Use of 4-(hydroxydiphenylmethyl)-1-piperidyl-phenylalkane derivatives for the manufacture of an antihistaminic SCHAPER & BRÜMMER GMBH & CO. KG (DE) 1990-11-28 EP 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 (3 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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO HRH1 1562/4885CYP2J2 2123/4885KCNH2 1413/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO HRH1 1562/4885CYP2J2 2123/4885KCNH2 1413/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO HRH1 1562/4885CYP2J2 2123/4885KCNH2 1413/4885

“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.