SCHEMBL6488520

SCHEMBL6488520

O=C(NC1CC2CC1CN2)c1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.44
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ESRRG P62508 7/20 0.41
PTPN11 Q06124 2/20 0.41
PTPN2 P17706 1/20 0.41
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL6485604 0.92 CHRNA7 (0.45) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6499145 0.87 CHRNA7 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6487656 0.85 DGAT1 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL6485603 0.84 KDM4E (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6500463 0.83 CHRNA7 (0.41) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6498888 0.83 ESRRG (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6486616 0.83 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225979 0.82 CHRNA7 (0.41) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6496086 0.82 ESRRG (0.41) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6487416 0.82 CHRNA7 (0.47) CHRNA7HTR3EHTR3BHTR3AHTR3D

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 CHRNA7 1097/4885HTR3E 3516/4885HTR3B 2561/4885

“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.