SCHEMBL5553128

SCHEMBL5553128

CC(c1ccc(-c2ccc(-c3ncccn3)cc2)cc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
OGA O60502 6/20 0.43
CHRM2 P08172 5/20 0.41
GHSR Q92847 3/20 0.41
MC4R P32245 1/20 0.41
LTA4H P09960 1/20 0.41
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
ACVRL1 P37023 1/20 0.40
TGFBR2 P37173 1/20 0.40
ACVR1 Q04771 1/20 0.40
ACVR2B Q13705 1/20 0.40
KCNA5 P22460 3/20 0.40
KCNE1 P15382 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CHRM1 P11229 2/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL5553098 0.98 CYP2D6 (0.44) CYP2D6OGACHRM2GHSRMC4R
SCHEMBL5549440 0.83 CNR2 (0.47) CYP2D6OGACHRM2MC4RLTA4H
SCHEMBL5550011 0.83 CNR2 (0.47) CYP2D6OGACHRM2MC4RLTA4H
SCHEMBL5553096 0.81 CYP2D6 (0.46) CYP2D6CHRM2MC4RLTA4HBMPR1B
SCHEMBL5550009 0.81 CYP2D6 (0.46) CYP2D6CHRM2MC4RLTA4HBMPR1B
SCHEMBL5550006 0.81 CYP2D6 (0.46) CYP2D6CHRM2MC4RLTA4HBMPR1B
SCHEMBL5549957 0.78 OPRD1 (0.46) CYP2D6CHRM2KCNA5CHRM1CYP17A1
SCHEMBL5549489 0.78 OPRD1 (0.46) CYP2D6CHRM2KCNA5CHRM1CYP17A1
SCHEMBL5554000 0.77 BMPR1B (0.43) CYP2D6OGACHRM2MC4RLTA4H
SCHEMBL5553102 0.76 BMPR1B (0.42) CYP2D6OGACHRM2MC4RLTA4H

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 CYP2D6 941/4885OGA 3637/4885CHRM2 180/4885

“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.