SCHEMBL6498540

SCHEMBL6498540

COc1ccccc1-c1cnc(C(=O)N[C@H]2CN3CCC2CC3C)o1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CHRNA7 P36544 4/20 0.46
HTR3A P46098 2/20 0.46
KCNH2 Q12809 1/20 0.46
FAAH O00519 1/20 0.44
ACKR3 P25106 4/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
VCP P55072 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL6500526 0.88 HDAC1 (0.45) HDAC1HDAC6CHRNA7HTR3AKCNH2
SCHEMBL6487842 0.88 ACKR3 (0.42) HDAC1HDAC6CHRNA7HTR3AFAAH
SCHEMBL6495948 0.87 ACKR3 (0.49) HDAC1HDAC6FAAHACKR3NPC1
SCHEMBL6490047 0.87 HDAC1 (0.44) HDAC1HDAC6CHRNA7HTR3AACKR3
SCHEMBL6490704 0.87 ACKR3 (0.41) HDAC1HDAC6CHRNA7HTR3AFAAH
SCHEMBL7119916 0.86 CHRNA7 (0.61) HDAC1HDAC6CHRNA7HTR3AKCNH2
SCHEMBL6487870 0.85 CHRNA7 (0.53) CHRNA7HTR3AKCNH2CHRNB2CHRNA4
SCHEMBL6491167 0.85 USP30 (0.48) HDAC1HDAC6CHRNA7HTR3AACKR3
SCHEMBL6501314 0.85 ACKR3 (0.40) HDAC1HDAC6CHRNA7HTR3AKCNH2
SCHEMBL6487102 0.84 HDAC6 (0.46) HDAC1HDAC6CHRNA7FAAHACKR3

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 HDAC1 467/4885HDAC6 1069/4885CHRNA7 1097/4885

“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.