SCHEMBL6486663

SCHEMBL6486663

Cc1ccc(-c2ccc(C(=O)NC3CC4CNC3C4)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.46
RXFP1 Q9HBX9 2/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
CHRNA7 P36544 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
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 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
SCHEMBL6488299 0.90 ESRRG (0.55) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL6487853 0.89 RXFP1 (0.47) ESRRGRXFP1ESR1ESR2CHRNA7
SCHEMBL6489244 0.89 ESRRG (0.46) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL6497200 0.89 KDM4E (0.51) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL6498807 0.89 MAPK11 (0.43) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL6497432 0.88 CHRNA7 (0.54) ESRRGRXFP1ESR1ESR2PTPN1
SCHEMBL6491196 0.88 KDM4E (0.55) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL6489478 0.87 KDM4E (0.44) ESRRGRXFP1ESR1ESR2PTPN1
SCHEMBL6485890 0.84 HPGDS (0.49) ESRRGESR1ESR2CHRNA7HTR3E
SCHEMBL6496932 0.83 NPC1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2

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 3073/4885RXFP1 2365/4885ESR1 4371/4885

“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.