SCHEMBL6500637

SCHEMBL6500637

O=C(NC1CC2CNC1C2)c1ccc(-c2cccc(NC(=O)C(F)(F)F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
ESRRG P62508 11/20 0.42
CHRNA7 P36544 5/20 0.42
ESR1 P03372 5/20 0.42
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3A P46098 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
ESR2 Q92731 3/20 0.42
NPC1 O15118 1/20 0.41
PPARG P37231 1/20 0.41
RAB9A P51151 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B1 P14061 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
SCHEMBL6496086 0.92 ESRRG (0.41) MAPTESRRGCHRNA7ESR1HTR3E
SCHEMBL6495173 0.89 NQO2 (0.51) TP53MAPTESRRGCHRNA7ESR1
SCHEMBL6487585 0.85 DGAT1 (0.39) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6487135 0.84 ESRRG (0.50) TP53MAPTESRRGCHRNA7ESR1
SCHEMBL6485604 0.84 CHRNA7 (0.45) TP53MAPTESRRGCHRNA7ESR1
SCHEMBL6497432 0.84 CHRNA7 (0.54) TP53MAPTESRRGCHRNA7ESR1
SCHEMBL6485890 0.83 HPGDS (0.49) ESRRGCHRNA7ESR1HTR3EHTR3B
SCHEMBL7224673 0.83 CHRNA7 (0.44) TP53MAPTESRRGCHRNA7ESR1
SCHEMBL6492485 0.83 MAPT (0.39) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6487853 0.82 RXFP1 (0.47) TP53MAPTESRRGCHRNA7ESR1

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 TP53 2577/4885MAPT 4385/4885ESRRG 3073/4885

“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.