SCHEMBL5221834

SCHEMBL5221834

CCCO[C@@H]1CCN(Cc2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
S1PR1 P21453 13/20 0.42
S1PR5 Q9H228 8/20 0.42
S1PR4 O95977 5/20 0.42
S1PR3 Q99500 5/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL5222459 1.00 KCNH2 (0.43) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5221845 1.00 KCNH2 (0.43) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5224353 0.91 KCNH2 (0.44) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5221218 0.91 KCNH2 (0.44) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5221206 0.91 KCNH2 (0.44) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5928300 0.91 KCNH2 (0.43) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5928296 0.91 KCNH2 (0.43) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5223251 0.89 POLB (0.45) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5223246 0.89 POLB (0.45) KCNH2GPR119S1PR1S1PR5S1PR4
SCHEMBL5226220 0.89 POLB (0.45) KCNH2GPR119S1PR1S1PR5S1PR4

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
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 US claimed
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP disclosed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 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-20060019998-A1 Histamine-3 receptor antagonist HRH3, HRH4, HRH2 KCNH2 909/4885GPR119 34/4885S1PR1 453/4885

“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.