SCHEMBL17023779

SCHEMBL17023779

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.80
KCNH2 Q12809 3/20 0.74
CYP2J2 P51589 2/20 0.70
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.70
CACNA1F O60840 1/20 0.70
GMNN O75496 1/20 0.70
USP2 O75604 1/20 0.70
EGFR P00533 1/20 0.70
LMNA P02545 1/20 0.70
CYP1A2 P05177 1/20 0.70
FYN P06241 1/20 0.70
CHRM2 P08172 1/20 0.70
ABCB1 P08183 1/20 0.70
CYP3A4 P08684 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
GAA P10253 1/20 0.70
CYP2D6 P10635 1/20 0.70

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
SCHEMBL17023752 0.96 HRH1 (0.80) HRH1KCNH2CYP2J2MEN1NPC1
SCHEMBL18609381 0.95 HRH1 (0.79) HRH1KCNH2CYP2J2MEN1NPC1
SCHEMBL17023774 0.93 HRH1 (0.79) HRH1KCNH2CYP2J2MEN1NPC1
SCHEMBL20306195 0.86 HRH1 (0.63) HRH1KCNH2CYP2J2MEN1NPC1
SCHEMBL20306199 0.85 HRH1 (1.00) HRH1KCNH2CYP2J2CYP3A4
SCHEMBL20305903 0.85 HRH1 (0.67) HRH1KCNH2CYP2J2MEN1NPC1
SCHEMBL18609142 0.85 HRH1 (0.74) HRH1KCNH2CYP2J2LMNACYP3A4
SCHEMBL9787488 0.85 HRH1 (0.78) HRH1KCNH2CYP2J2MEN1NPC1
SCHEMBL18609138 0.84 HRH1 (0.80) HRH1KCNH2CYP2J2
SCHEMBL18609403 0.84 HRH1 (0.80) 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 1413/4885CYP2J2 2123/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO HRH1 1562/4885KCNH2 1413/4885CYP2J2 2123/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO HRH1 1562/4885KCNH2 1413/4885CYP2J2 2123/4885

“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.