SCHEMBL5223511

SCHEMBL5223511

Cc1noc([C@@H]2CCCN2Cc2ccc(-c3ccc(-c4noc(C)n4)cc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 10/20 0.47
SPHK1 Q9NYA1 5/20 0.47
NR1H4 Q96RI1 4/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL5223518 1.00 SPHK2 (0.47) SPHK2SPHK1NR1H4HDAC8HDAC6
SCHEMBL5224224 1.00 SPHK2 (0.47) SPHK2SPHK1NR1H4HDAC8HDAC6
SCHEMBL5221700 0.76 SPHK1 (0.66) SPHK2SPHK1SMN1; SMN2
SCHEMBL5221713 0.76 SPHK1 (0.66) SPHK2SPHK1SMN1; SMN2
SCHEMBL5223353 0.75 SPHK2 (0.45) SPHK2SPHK1SMN1; SMN2
SCHEMBL5227257 0.75 SPHK1 (0.52) SPHK2SPHK1HDAC6SMN1; SMN2
SCHEMBL5227166 0.75 SPHK1 (0.52) SPHK2SPHK1SMN1; SMN2
SCHEMBL5225958 0.74 SMN1; SMN2 (0.59) SMN1; SMN2
SCHEMBL5225149 0.73 SMN1; SMN2 (0.61) SMN1; SMN2
SCHEMBL12905219 0.72 CHRM2 (0.43) NR1H4HDAC8HDAC6HDAC1HDAC5

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 SPHK2 1144/4885SPHK1 943/4885NR1H4 75/4885

“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.