SCHEMBL18609142

SCHEMBL18609142

CC(C)(C(=O)O)c1ccc(CCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.74
KCNH2 Q12809 3/20 0.74
LMNA P02545 2/20 0.71
DRD3 P35462 2/20 0.71
CNR1 P21554 1/20 0.71
APEX1 P27695 1/20 0.71
PDE4A P27815 1/20 0.71
HTR2A P28223 1/20 0.71
HTR2B P41595 1/20 0.71
BLM P54132 1/20 0.71
PDE3A Q14432 1/20 0.71
DRD2 P14416 1/20 0.70
ALOX15 P16050 1/20 0.70
HSD17B10 Q99714 1/20 0.70
CYP2J2 P51589 6/20 0.64
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2B6 P20813 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
SCHEMBL11977258 0.92 HRH1 (0.72) HRH1KCNH2LMNADRD3CNR1
SCHEMBL18609220 0.90 HRH1 (0.75) HRH1KCNH2LMNADRD3CNR1
SCHEMBL17023752 0.89 HRH1 (0.80) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL18609381 0.88 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL18609237 0.85 HRH1 (1.00) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL17023779 0.85 HRH1 (0.80) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL20306199 0.85 HRH1 (1.00) HRH1KCNH2CYP2J2CYP3A4CYP2C9
SCHEMBL18609138 0.84 HRH1 (0.80) HRH1KCNH2CYP2J2
SCHEMBL18609403 0.84 HRH1 (0.80) HRH1KCNH2CYP2J2
SCHEMBL1395734 0.84 CYP2J2 (0.84) HRH1KCNH2LMNADRD3CNR1

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 2 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-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 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 (2 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-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO HRH1 1562/4885KCNH2 1413/4885LMNA 1841/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO HRH1 1562/4885KCNH2 1413/4885LMNA 1841/4885

“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.