SCHEMBL6490374

SCHEMBL6490374

Cc1cccc(-c2ccc(C(=O)NC3CC4CC3CN4)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNA7 P36544 5/20 0.47
HTR3E A5X5Y0 4/20 0.47
HTR3B O95264 4/20 0.47
HTR3A P46098 4/20 0.47
HTR3D Q70Z44 4/20 0.47
HTR3C Q8WXA8 4/20 0.47
HSD17B1 P14061 7/20 0.45
HSD17B2 P37059 7/20 0.45
ESRRG P62508 2/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6501624 0.90 RXFP1 (0.47) RXFP1TP53MAPTSMN1; SMN2CHRNA7
SCHEMBL6486616 0.89 CHRNA7 (0.58) RXFP1TP53MAPTSMN1; SMN2CHRNA7
SCHEMBL6501238 0.88 HPGDS (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6489231 0.87 ESRRG (0.51) TP53MAPTCHRNA7HTR3EHTR3B
SCHEMBL6500034 0.87 MAPK11 (0.48) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6487125 0.87 HPGDS (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6500579 0.87 HDAC6 (0.51) MAPTSMN1; SMN2CHRNA7HTR3EHTR3B
SCHEMBL6501277 0.86 NQO2 (0.52) RXFP1TP53MAPTSMN1; SMN2CHRNA7
SCHEMBL6498888 0.84 ESRRG (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6487416 0.84 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 RXFP1 2365/4885TP53 2577/4885MAPT 4385/4885

“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.