SCHEMBL6496112

SCHEMBL6496112

Cc1cccc(-c2ccc(C(=O)NC3CC4CC3CN4)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.46
C3AR1 Q16581 1/20 0.44
KCNH2 Q12809 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR4 O95977 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL6486913 0.88 SLC9A1 (0.48) SLC9A1C3AR1NPC1RAB9AMEN1
SCHEMBL6498034 0.88 RAB9A (0.42) NPC1RAB9AS1PR4MEN1KMT2A
SCHEMBL6489595 0.88 MMP13 (0.43) KCNH2NPC1RAB9AS1PR4MEN1
SCHEMBL6491662 0.87 ALDH1A1 (0.55) SLC9A1C3AR1NPC1RAB9AS1PR4
SCHEMBL6499804 0.87 ALDH1A1 (0.44) C3AR1NPC1RAB9AS1PR4MEN1
SCHEMBL6488068 0.87 NR4A1 (0.51) SLC9A1C3AR1NPC1RAB9ASMN1; SMN2
SCHEMBL6489856 0.87 ERCC5 (0.45) SLC9A1NPC1RAB9AS1PR4MEN1
SCHEMBL6488949 0.86 NQO2 (0.51) KCNH2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6496274 0.82 HDAC1 (0.52)
SCHEMBL6485912 0.82 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 SLC9A1 1193/4885C3AR1 354/4885KCNH2 2602/4885

“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.