SCHEMBL7997957

SCHEMBL7997957

c1ccc(-c2cc3ccc(OCCCN4CCOCC4)cn3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
MAPK1 P28482 3/20 0.52
KCNH2 Q12809 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
SCN1A P35498 1/20 0.52
HTR2B P41595 1/20 0.52
SCN2A Q99250 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SCN3A Q9NY46 1/20 0.52
HRH1 P35367 2/20 0.52
HRH2 P25021 1/20 0.52
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
EPHX2 P34913 1/20 0.50

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
SCHEMBL11899308 0.82 RAB9A (0.83) HRH3RAB9ANPC1MAPK1KCNH2
SCHEMBL7006505 0.77 MAPK1 (0.73) HRH3RAB9ANPC1MAPK1KCNH2
SCHEMBL11898739 0.76 NPC1 (0.97) HRH3RAB9ANPC1KCNH2HRH1
SCHEMBL25417109 0.74 DRD2 (0.58) HRH3MAPK1KCNH2ALDH1A1CYP1A2
SCHEMBL4295620 0.73 HRH3 (1.00) HRH3KCNH2HRH1
SCHEMBL7984046 0.73 USP2 (0.52) HRH3RAB9ANPC1MAPK1KCNH2
SCHEMBL21359400 0.72 KDR (0.70) HRH3RAB9ANPC1MAPK1KCNH2
SCHEMBL29508184 0.72 ALDH1A1 (0.81) HRH3MAPK1KCNH2ALDH1A1CYP1A2
SCHEMBL31314462 0.72 HRH3 (0.66) HRH3RAB9ANPC1MAPK1KCNH2
SCHEMBL4090612 0.72 HRH3 (0.82) HRH3MAPK1KCNH2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 HRH3 148/4885RAB9A 2410/4885NPC1 173/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HRH3 393/4885RAB9A 2787/4885NPC1 876/4885

“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.