SCHEMBL5555155

SCHEMBL5555155

Cc1ncc(-c2ccc(-c3ccc(C(C)N4CCCCC4)c(C)c3)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 2/20 0.33
HSD11B1 P28845 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
CYP2C9 P11712 1/20 0.32
WNT1 P04628 1/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL5554053 0.81 BMPR1B (0.42) HSD11B1HDAC3HDAC4HDAC7HDAC8
SCHEMBL5554000 0.80 BMPR1B (0.43) HSD11B1HDAC3HDAC4HDAC7HDAC8
SCHEMBL5553919 0.67 BMPR1B (0.42) HRH3BMPR1BACVR2ABMPR1AACVR1B
SCHEMBL5549358 0.67 BMPR1B (0.44) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5553102 0.67 BMPR1B (0.42) CNR2HRH3BMPR1BACVR2ABMPR1A
SCHEMBL5555173 0.67 BMPR1B (0.42) CNR2GRIN2BHRH3BMPR1BACVR2A
SCHEMBL5553981 0.67 BMPR1B (0.42) HRH3BMPR1BACVR2ABMPR1AACVR1B
SCHEMBL5553047 0.66 PDE3B (0.44) PDE3BPDE3AHRH3BMPR1BACVR2A
SCHEMBL12786339 0.66 NPC1 (0.44) KDM4EPDE3BPDE3AHDAC3HDAC4
SCHEMBL8983515 0.66 CYP2D6 (0.45) HSD11B1CYP2C9

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 CNR2 261/4885KDM4E 3231/4885HSD11B1 1083/4885

“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.