SCHEMBL6417063

SCHEMBL6417063

CCCNCC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.59
ALDH1A1 P00352 3/20 0.54
KCNH2 Q12809 3/20 0.54
MAPK1 P28482 2/20 0.54
CYP1A2 P05177 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
HTR2A P28223 1/20 0.54
SCN1A P35498 1/20 0.54
HTR2B P41595 1/20 0.54
SCN2A Q99250 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
SCN3A Q9NY46 1/20 0.54
LMNA P02545 3/20 0.53
USP2 O75604 1/20 0.53
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6414316 0.95 HRH3 (0.58) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL6408820 0.94 HRH3 (0.57) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL6408828 0.93 HRH3 (0.56) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL3270978 0.91 HRH3 (0.61) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL3272777 0.87 HRH3 (0.64) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL3270832 0.85 HRH3 (0.61) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL3277506 0.83 HRH3 (0.61) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL3271018 0.82 HRH3 (0.58) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL3272759 0.82 HRH3 (0.61) HRH3ALDH1A1KCNH2MAPK1CYP1A2
SCHEMBL3273066 0.82 HRH3 (0.50) HRH3ALDH1A1KCNH2MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands HRH4, HRH3, TLR4 HRH3 2/4885ALDH1A1 832/4885KCNH2 3255/4885

“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.