SCHEMBL6499361

SCHEMBL6499361

COc1ccccc1-c1cnc(C(=O)NC2CC3CC2CN3)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
FAAH O00519 3/20 0.49
VCP P55072 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
CNR2 P34972 1/20 0.39
HPGD P15428 6/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 4/20 0.37
HTR3A P46098 2/20 0.37
CHRNA7 P36544 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6497995 0.87 HDAC1 (0.51) HDAC1HDAC6FAAHHPGDALDH1A1
SCHEMBL6496644 0.86 FAAH (0.46) HDAC1HDAC6FAAHRAB9ANPC1
SCHEMBL6500763 0.85 HDAC1 (0.51) HDAC1HDAC6FAAHRAB9ANPC1
SCHEMBL6488113 0.85 FAAH (0.47) HDAC1HDAC6FAAHRAB9AGAA
SCHEMBL6500689 0.85 FAAH (0.47) HDAC1HDAC6FAAHACKR3
SCHEMBL6486589 0.84 HDAC1 (0.51) HDAC1HDAC6FAAHVCPRAB9A
SCHEMBL6497797 0.84 ALDH1A1 (0.51) RAB9ANPC1HPGDALDH1A1LMNA
SCHEMBL6496537 0.83 ALDH1A1 (0.41) HDAC1HDAC6FAAHALDH1A1MAPT
SCHEMBL7231021 0.83 HDAC1 (0.50) HDAC1HDAC6FAAHVCPRAB9A
SCHEMBL6498521 0.83 HDAC6 (0.51) HDAC1HDAC6FAAHRAB9ANPC1

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 1069/4885FAAH 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.