SCHEMBL6497941

SCHEMBL6497941

COc1cccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4CCN(C4)C3)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
USP30 Q70CQ3 1/20 0.48
CHRNA7 P36544 5/20 0.47
SLC9A1 P19634 1/20 0.47
ABCB1 P08183 1/20 0.46
C3AR1 Q16581 1/20 0.44
NAAA Q02083 1/20 0.43
MAOB P27338 1/20 0.42
MCHR1 Q99705 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6497936 1.00 NPC1 (0.49) NPC1RAB9AKMT2ATP53ALDH1A1
SCHEMBL6496623 0.89 CHRNA7 (0.48) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL6495539 0.89 CHRNA7 (0.48) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL6488035 0.89 MMP13 (0.49) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL6488042 0.89 MMP13 (0.49) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL6491277 0.88 CHRNA7 (0.48) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL6491280 0.88 CHRNA7 (0.48) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL6496835 0.87 RAB9A (0.56) NPC1RAB9AKMT2ATP53ALDH1A1
SCHEMBL6496520 0.87 NR4A1 (0.49) NPC1RAB9AALDH1A1CHRNA7SLC9A1
SCHEMBL6498722 0.87 CHRNA7 (0.48) NPC1RAB9AKMT2AALDH1A1HPGD

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 NPC1 224/4885RAB9A 1437/4885KMT2A 3836/4885

“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.