SCHEMBL5226025

SCHEMBL5226025

Cc1nc(-c2ccc(-c3ccc(CN(C)Cc4csc(-c5ccccc5)n4)cc3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PRMT1 Q99873 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL5224485 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL5226319 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5226114 0.78 NPC1 (0.49) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL5224688 0.74 NPC1 (0.45) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL5225893 0.74 HRH3 (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL5223185 0.72 NPC1 (0.45) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL7986086 0.71 TMEM97 (0.54) NPC1TMEM97SIGMAR1RAB9ASMN1; SMN2
SCHEMBL255502 0.71 L3MBTL1 (0.74) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
SCHEMBL5224075 0.70 NPC1 (0.43) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL5224500 0.70 MAPT (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT

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 NPC1 616/4885TMEM97 653/4885SIGMAR1 975/4885

“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.