SCHEMBL6497430

SCHEMBL6497430

O=C(NC1CC2CNC1C2)c1ccc(-c2ccccc2F)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.48
CHRNA7 P36544 9/20 0.42
ACKR3 P25106 1/20 0.40
HTR3E A5X5Y0 4/20 0.38
HTR3B O95264 4/20 0.38
HTR3A P46098 4/20 0.38
HTR3D Q70Z44 4/20 0.38
HTR3C Q8WXA8 4/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CHEK1 O14757 4/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL6497702 0.88 CHRNA7 (0.43) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6489926 0.87 CHRNA7 (0.42) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6498394 0.87 HPGD (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6498109 0.87 CHRNA7 (0.57) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6489827 0.85 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6497432 0.84 CHRNA7 (0.54) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6486229 0.83 CHRNA7 (0.42) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6488437 0.83 CHRNA7 (0.38) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6499796 0.83 USP30 (0.38) ESRRGACKR3SMN1; SMN2CHEK1
SCHEMBL6497200 0.82 KDM4E (0.51) ESRRGCHRNA7HTR3EHTR3BHTR3A

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 ESRRG 3073/4885CHRNA7 1097/4885ACKR3 989/4885

“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.