SCHEMBL5553936

SCHEMBL5553936

CC(c1ccc(-c2ccc(-c3csc4ccccc34)cc2)cc1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP2D6 P10635 1/20 0.41
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
BMPR1B O00238 1/20 0.40
ACVR2A P27037 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
ACVR2B Q13705 1/20 0.40
HPGD P15428 2/20 0.40
PRKDC P78527 1/20 0.40

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
SCHEMBL23555986 0.76 ERN1 (0.54) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL5553137 0.75 APP (0.42) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL6450241 0.74 CYP2D6 (0.45) CHRM2CHRM1CYP2D6ACVRL1ACVR1
SCHEMBL5766614 0.73 ERN1 (0.51) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL5549428 0.71 APP (0.49) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL5550009 0.70 CYP2D6 (0.46) CHRM2CHRM1CYP2D6ACVRL1ACVR1
SCHEMBL5550006 0.70 CYP2D6 (0.46) CHRM2CHRM1CYP2D6ACVRL1ACVR1
SCHEMBL5553096 0.70 CYP2D6 (0.46) CHRM2CHRM1CYP2D6ACVRL1ACVR1
SCHEMBL7384280 0.70 MAOB (0.52) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL5552954 0.70 CYP17A1 (0.54) CHRM2CHRM1CHRM4CHRM5CHRM3

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 SLC6A2 53/4885SLC6A4 97/4885SLC6A3 22/4885

“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.