SCHEMBL6496086

SCHEMBL6496086

O=C(NC1CC2CNC1C2)c1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.41
PTPN11 Q06124 3/20 0.41
PTPN2 P17706 1/20 0.41
CHRNA7 P36544 5/20 0.39
HTR3E A5X5Y0 4/20 0.39
HTR3B O95264 4/20 0.39
HTR3A P46098 4/20 0.39
HTR3D Q70Z44 4/20 0.39
HTR3C Q8WXA8 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 2/20 0.39
PTPN1 P18031 2/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL6500637 0.92 TP53 (0.43) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6489478 0.87 KDM4E (0.44) ESRRGPTPN11PTPN2CHRNA7HTR3E
SCHEMBL6503084 0.85 DGAT1 (0.43)
SCHEMBL6497200 0.84 KDM4E (0.51) ESRRGPTPN11PTPN2CHRNA7HTR3E
SCHEMBL6488299 0.83 ESRRG (0.55) ESRRGPTPN11CHRNA7HTR3EHTR3B
SCHEMBL6488437 0.83 CHRNA7 (0.38) ESRRGCHRNA7HTR3EHTR3BHTR3A
SCHEMBL6488520 0.82 CHRNA7 (0.44) ESRRGPTPN11PTPN2CHRNA7HTR3E
SCHEMBL7225979 0.82 CHRNA7 (0.41) ESRRGPTPN11PTPN2CHRNA7HTR3E
SCHEMBL6489244 0.82 ESRRG (0.46) ESRRGPTPN11CHRNA7HTR3EHTR3B
SCHEMBL6486663 0.82 ESRRG (0.46) ESRRGPTPN11CHRNA7HTR3EHTR3B

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 3073/4885PTPN11 1222/4885PTPN2 1913/4885

“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.