SCHEMBL17023785

SCHEMBL17023785

CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)c3ccccc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.72
HTR2A P28223 5/20 0.72
KCNH2 Q12809 4/20 0.72
LMNA P02545 4/20 0.72
DRD3 P35462 4/20 0.72
HTR2B P41595 3/20 0.72
DRD2 P14416 3/20 0.72
HTR2C P28335 3/20 0.72
BLM P54132 2/20 0.72
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2D6 P10635 2/20 0.72
NPC1 O15118 2/20 0.72
EGFR P00533 2/20 0.72
FYN P06241 2/20 0.72
CHRM2 P08172 2/20 0.72
ABCB1 P08183 2/20 0.72
HTR1A P08908 2/20 0.72
ADRA2A P08913 2/20 0.72
ADORA3 P0DMS8 2/20 0.72

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
SCHEMBL18590358 1.00 HRH1 (0.72) HRH1HTR2AKCNH2LMNADRD3
SCHEMBL5138676 0.85 HRH1 (0.62) HRH1HTR2AKCNH2LMNADRD3
SCHEMBL18590360 0.85 KCNH2 (0.71) HRH1HTR2AKCNH2LMNADRD3
SCHEMBL17023759 0.85 KCNH2 (0.71) HRH1HTR2AKCNH2LMNADRD3
SCHEMBL10762463 0.84 KCNH2 (0.70) HRH1HTR2AKCNH2LMNADRD3
SCHEMBL6385060 0.84 KCNH2 (0.70) HRH1HTR2AKCNH2LMNADRD3
Terfenadine SCHEMBL5999023 0.84 KCNH2 (1.00) HRH1HTR2AKCNH2LMNADRD3
R-Terfenadine SCHEMBL155924 0.84 KCNH2 (1.00) HRH1HTR2AKCNH2LMNADRD3
SCHEMBL11871354 0.84 KCNH2 (0.96) HRH1HTR2AKCNH2LMNADRD3
Terfenadine SCHEMBL5998456 0.84 KCNH2 (1.00) HRH1HTR2AKCNH2LMNADRD3

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 8 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-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 1562/4885HTR2A 4622/4885KCNH2 1413/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO HRH1 1562/4885HTR2A 4622/4885KCNH2 1413/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO HRH1 1562/4885HTR2A 4622/4885KCNH2 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.