SCHEMBL6487575

SCHEMBL6487575

Cc1cccc(-c2cnc(C(=O)N[C@H]3CN4CCC3CC4C)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.48
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CHRNA7 P36544 11/20 0.42
HTR3E A5X5Y0 5/20 0.40
HTR3B O95264 5/20 0.40
HTR3A P46098 5/20 0.40
HTR3D Q70Z44 5/20 0.40
HTR3C Q8WXA8 5/20 0.40
DGAT1 O75907 2/20 0.38
CHEK1 O14757 2/20 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
SCHEMBL6496913 0.91 USP30 (0.57) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6502678 0.91 USP30 (0.48) USP30HSD17B1HSD17B2CHRNA7HTR3E
SCHEMBL6499525 0.91 USP30 (0.48) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6489485 0.91 USP30 (0.47) USP30HDAC1HDAC6CHRNA7HTR3E
SCHEMBL6486645 0.90 USP30 (0.48) USP30HDAC1HDAC6CHRNA7HTR3E
SCHEMBL6502998 0.90 USP30 (0.48) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6494879 0.88 USP30 (0.47) USP30HDAC1HDAC6HSD17B1HSD17B2
SCHEMBL6488011 0.88 USP30 (0.47) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6489552 0.87 USP30 (0.47) USP30CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6487985 0.86 NPC1 (0.45) USP30CHRNA7HTR3EHTR3BHTR3A

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 8 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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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 USP30 3442/4885HDAC1 467/4885HDAC6 1069/4885

“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.