SCHEMBL6487985

SCHEMBL6487985

CC1CC2CCN1C[C@@H]2NC(=O)c1ncc(-c2cccc(NC(=O)C(F)(F)F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PAX8 Q06710 2/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
USP30 Q70CQ3 2/20 0.45
DGAT1 O75907 5/20 0.39
CHRNA7 P36544 7/20 0.39
TRPV1 Q8NER1 1/20 0.39
WNT3A P56704 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR3E A5X5Y0 4/20 0.37
HTR3B O95264 4/20 0.37
HTR3A P46098 4/20 0.37
HTR3D Q70Z44 4/20 0.37
HTR3C Q8WXA8 4/20 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
SCHEMBL6487262 0.92 DGAT1 (0.42) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL6488011 0.91 USP30 (0.47) USP30DGAT1CHRNA7HTR3EHTR3B
SCHEMBL6502998 0.87 USP30 (0.48) USP30DGAT1CHRNA7HTR3EHTR3B
SCHEMBL6496913 0.87 USP30 (0.57) USP30DGAT1CHRNA7HTR3EHTR3B
SCHEMBL6488741 0.86 CHRNA7 (0.52) NPC1RAB9APAX8MEN1HSP90AA1
SCHEMBL6502678 0.86 USP30 (0.48) USP30DGAT1CHRNA7HTR3EHTR3B
SCHEMBL6499525 0.86 USP30 (0.48) USP30DGAT1CHRNA7HTR3EHTR3B
SCHEMBL6487575 0.86 USP30 (0.48) USP30DGAT1CHRNA7HTR3EHTR3B
SCHEMBL6486645 0.85 USP30 (0.48) USP30DGAT1CHRNA7TRPV1HTR3E
SCHEMBL6495239 0.85 USP30 (0.39) USP30DGAT1CHRNA7HTR3EHTR3B

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 6 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
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 1437/4885PAX8 2852/4885

“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.