SCHEMBL5222799

SCHEMBL5222799

Cc1nc(-c2ccc(-c3ccc(CN(C)Cc4nccn4C)cc3)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CXCR4 P61073 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
S1PR1 P21453 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL5222506 0.81 L3MBTL1 (0.43) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5928148 0.79 ALDH1A1 (0.47) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5223185 0.76 NPC1 (0.45) L3MBTL1RAB9AALDH1A1NPC1POLB
SCHEMBL5224688 0.76 NPC1 (0.45) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5225893 0.76 HRH3 (0.55) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5223287 0.73 NPC1 (0.45) L3MBTL1RAB9AALDH1A1LMNANPC1
SCHEMBL5226319 0.73 NPC1 (0.46) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL5226114 0.73 NPC1 (0.49) L3MBTL1RAB9AALDH1A1LMNANPC1
SCHEMBL16213758 0.72 LMNA (0.51) L3MBTL1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL5224485 0.72 NPC1 (0.46) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA

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-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
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 L3MBTL1 4112/4885RAB9A 295/4885ALDH1A1 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.