SCHEMBL5549957

SCHEMBL5549957

C[C@H](c1ccc(-c2ccc(-c3cccnc3)cc2)cc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
KIF11 P52732 1/20 0.45
GPR55 Q9Y2T6 3/20 0.45
CYP2D6 P10635 1/20 0.43
CYP17A1 P05093 1/20 0.43
HSD11B1 P28845 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 2/20 0.42
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL5549489 1.00 OPRD1 (0.46) OPRD1CYP3A4CYP2A6ALDH1A1CYP1A2
SCHEMBL5553097 0.83 P4HB (0.45) CYP2D6CYP17A1CHRM2CHRM1
SCHEMBL5553979 0.83 P4HB (0.45) CYP2D6CYP17A1CHRM2CHRM1
SCHEMBL5553095 0.83 P4HB (0.45) CYP2D6CYP17A1CHRM2CHRM1
SCHEMBL5550009 0.82 CYP2D6 (0.46) CYP3A4ALDH1A1CYP2D6CYP17A1HSD11B1
SCHEMBL5550006 0.82 CYP2D6 (0.46) CYP3A4ALDH1A1CYP2D6CYP17A1HSD11B1
SCHEMBL5553096 0.82 CYP2D6 (0.46) CYP3A4ALDH1A1CYP2D6CYP17A1HSD11B1
SCHEMBL5555099 0.81 P4HB (0.47) CYP2D6CHRM2CHRM1
SCHEMBL30340993 0.81 KCNA5 (0.55) CYP3A4ALDH1A1CYP1A2CYP2D6KCNA5
SCHEMBL5555173 0.80 BMPR1B (0.42) CYP2D6CYP11B2KCNH2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP claimed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP disclosed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO disclosed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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 (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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 OPRD1 178/4885CYP3A4 1471/4885CYP2A6 1925/4885

“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.