SCHEMBL5221700

SCHEMBL5221700

Cc1nc(-c2ccc(-c3ccc(CN4CCCC[C@H]4CO)cc3)cc2)no1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.66
SPHK2 Q9NRA0 7/20 0.66
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
KCNH2 Q12809 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5221713 1.00 SPHK1 (0.66) SPHK1SPHK2ALDH1A1LMNAKCNH2
SCHEMBL5227257 0.81 SPHK1 (0.52) SPHK1SPHK2ALDH1A1LMNAKCNH2
SCHEMBL5227166 0.81 SPHK1 (0.52) SPHK1SPHK2ALDH1A1LMNAKCNH2
SCHEMBL5225958 0.78 SMN1; SMN2 (0.59) ALDH1A1LMNAKCNH2GPR119NPC1
SCHEMBL5225149 0.77 SMN1; SMN2 (0.61) ALDH1A1LMNAKCNH2NPC1RAB9A
SCHEMBL5223353 0.77 SPHK2 (0.45) SPHK1SPHK2ALDH1A1LMNAKCNH2
SCHEMBL19823120 0.77 SPHK1 (0.58) SPHK1SPHK2ALDH1A1
SCHEMBL5224224 0.76 SPHK2 (0.47) SPHK1SPHK2SMN1; SMN2
SCHEMBL5223511 0.76 SPHK2 (0.47) SPHK1SPHK2SMN1; SMN2
SCHEMBL5223518 0.76 SPHK2 (0.47) SPHK1SPHK2SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP claimed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
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 SPHK1 943/4885SPHK2 1144/4885ALDH1A1 1183/4885

“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.