SCHEMBL5555115

SCHEMBL5555115

CC(c1ccc(-c2cc(F)c(Br)c(F)c2)cc1)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
LTA4H P09960 1/20 0.36
MC4R P32245 1/20 0.36
OPRM1 P35372 2/20 0.35
BMPR1B O00238 1/20 0.35
ACVR2A P27037 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
TGFBR2 P37173 1/20 0.35
ACVR1 Q04771 1/20 0.35
ACVR2B Q13705 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ANPEP P15144 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL5549391 0.87 CYP2D6 (0.39) CYP2D6MBTD1L3MBTL3LTA4HMC4R
SCHEMBL5549400 0.84 CYP2D6 (0.47) CYP2D6MBTD1L3MBTL3LTA4HMC4R
SCHEMBL5553082 0.84 CYP2D6 (0.47) CYP2D6MBTD1L3MBTL3LTA4HMC4R
SCHEMBL5555164 0.83 CYP2D6 (0.43) CYP2D6LTA4HMC4RCHRM2CHRM1
SCHEMBL5549467 0.81 MBTD1 (0.41) CYP2D6MBTD1L3MBTL3OPRM1CYP3A4
SCHEMBL5555162 0.78 CYP2D6 (0.37) CYP2D6MBTD1L3MBTL3LTA4HMC4R
SCHEMBL3041069 0.78 CYP2D6 (0.52) CYP2D6MBTD1L3MBTL3LTA4HMC4R
SCHEMBL5553125 0.78 P4HB (0.39) CYP2D6LTA4HBMPR1BACVR2ABMPR1A
SCHEMBL5549894 0.77 AKR1C3 (0.44) CYP2D6BMPR1BACVR2ABMPR1AACVR1B
SCHEMBL1928612 0.77 CYP2D6 (0.50) CYP2D6MBTD1L3MBTL3LTA4HMC4R

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 941/4885MBTD1 3182/4885L3MBTL3 2771/4885

“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.