SCHEMBL5553174

SCHEMBL5553174

CSc1cccc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ACHE P22303 1/20 0.40
PTGS2 P35354 1/20 0.39
LTA4H P09960 1/20 0.38
MC4R P32245 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
BACE1 P56817 1/20 0.36
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
IDO1 P14902 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL12919971 0.78 AKR1C3 (0.47) CYP2D6AKR1C3AKR1C2PTGS2BACE1
SCHEMBL6448616 0.76 DRD2 (0.45) CYP2D6
SCHEMBL5549959 0.76 PRKCI (0.45) CYP2D6ACHEPTGS2CHRM2CHRM1
SCHEMBL5554008 0.74 SLC6A3 (0.48) CYP2D6CHRM2CHRM1
SCHEMBL6447344 0.74 SLC6A3 (0.48) CYP2D6CHRM2CHRM1
SCHEMBL6445690 0.74 DPP4 (0.53) CYP2D6ACHE
SCHEMBL5555136 0.74 DPP4 (0.53) CYP2D6ACHE
SCHEMBL5550077 0.73 AKR1C3 (0.43) AKR1C3AKR1C2ACHEPTGS2IDO1
SCHEMBL5549345 0.72 ACHE (0.49) ACHE
SCHEMBL5553122 0.72 CYP17A1 (0.51)

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 4 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
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 941/4885AKR1C3 1218/4885AKR1C2 1862/4885

“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.