SCHEMBL6499897

SCHEMBL6499897

COc1cccc(-c2cnc(C(=O)NC3CC4CC3CN4)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.54
HDAC1 Q13547 7/20 0.54
FAAH O00519 3/20 0.51
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
VCP P55072 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 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
SCHEMBL6498521 0.89 HDAC6 (0.51) HDAC6HDAC1FAAHNPC1RAB9A
SCHEMBL6496274 0.87 HDAC1 (0.52) HDAC6HDAC1FAAH
SCHEMBL6488205 0.86 FAAH (0.48) HDAC6HDAC1FAAH
SCHEMBL6488963 0.85 HDAC1 (0.53) HDAC6HDAC1FAAHNPC1RAB9A
SCHEMBL6491489 0.85 FAAH (0.48) HDAC6HDAC1FAAH
SCHEMBL6499153 0.85 FAAH (0.48) HDAC6HDAC1FAAH
SCHEMBL6486913 0.85 SLC9A1 (0.48) HDAC6HDAC1NPC1RAB9ATP53
SCHEMBL6498706 0.85 TUBB4A (0.48) HDAC6HDAC1FAAH
SCHEMBL7232006 0.84 HDAC1 (0.51) HDAC6HDAC1FAAHNPC1RAB9A
SCHEMBL6486481 0.84 HDAC1 (0.51) HDAC6HDAC1FAAHNPC1RAB9A

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 HDAC6 1069/4885HDAC1 467/4885FAAH 1988/4885

“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.