SCHEMBL5553098

SCHEMBL5553098

CC(c1ccc(-c2ccc(-c3ncccn3)cc2)cc1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
KCNA5 P22460 5/20 0.42
KCNE1 P15382 2/20 0.42
OGA O60502 6/20 0.42
CHRM2 P08172 3/20 0.41
GHSR Q92847 3/20 0.41
LTA4H P09960 1/20 0.40
MC4R P32245 1/20 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
ACVRL1 P37023 1/20 0.40
TGFBR2 P37173 1/20 0.40
ACVR1 Q04771 1/20 0.40
ACVR2B Q13705 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 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
SCHEMBL5553128 0.98 CYP2D6 (0.46) CYP2D6KCNA5KCNE1OGACHRM2
SCHEMBL5550011 0.82 CNR2 (0.47) CYP2D6KCNA5KCNE1OGACHRM2
SCHEMBL5549440 0.82 CNR2 (0.47) CYP2D6KCNA5KCNE1OGACHRM2
SCHEMBL5550006 0.80 CYP2D6 (0.46) CYP2D6CHRM2LTA4HMC4RBMPR1B
SCHEMBL5550009 0.80 CYP2D6 (0.46) CYP2D6CHRM2LTA4HMC4RBMPR1B
SCHEMBL5553096 0.80 CYP2D6 (0.46) CYP2D6CHRM2LTA4HMC4RBMPR1B
SCHEMBL5554053 0.78 BMPR1B (0.42) CYP2D6OGACHRM2LTA4HMC4R
SCHEMBL6649009 0.77 SCN9A (0.41) OGACHRM2GHSRCYP3A4CYP2C9
SCHEMBL5549957 0.77 OPRD1 (0.46) CYP2D6KCNA5CHRM2CYP1A2CYP3A4
SCHEMBL5549489 0.77 OPRD1 (0.46) CYP2D6KCNA5CHRM2CYP1A2CYP3A4

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 3 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 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 941/4885KCNA5 1873/4885KCNE1 1815/4885

“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.