SCHEMBL17023773

SCHEMBL17023773

CN(C)c1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.77
KCNH2 Q12809 3/20 0.65
NPY2R P49146 1/20 0.58
CYP2J2 P51589 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57

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
SCHEMBL17031600 0.87 HRH1 (1.00) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL17023774 0.86 HRH1 (0.79) HRH1KCNH2CYP2J2CYP3A4
SCHEMBL18609075 0.86 HRH1 (0.79) HRH1KCNH2CYP2J2
SCHEMBL17023783 0.86 HRH1 (0.79) HRH1KCNH2CYP2J2
SCHEMBL18609074 0.86 HRH1 (0.79) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL17023794 0.85 HRH1 (0.77) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL17032631 0.85 HRH1 (0.77) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL17023772 0.85 HRH1 (0.77) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL12140808 0.85 HRH1 (0.77) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL17023764 0.85 HRH1 (0.77) HRH1KCNH2CYP2J2

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-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

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 1562/4885KCNH2 1413/4885NPY2R 4606/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO HRH1 1562/4885KCNH2 1413/4885NPY2R 4606/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO HRH1 1562/4885KCNH2 1413/4885NPY2R 4606/4885

“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.