SCHEMBL6491649

SCHEMBL6491649

Cc1ccc(C(=O)N[C@@H]2C[C@H]3CCN(C3)C2)s1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CHRNA7 P36544 11/20 0.56
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6491651 1.00 NPC1 (0.58) NPC1RAB9ACHRNA7TAS1R3TAS1R1
SCHEMBL6486254 0.85 HPGD (0.60) CHRNA7HPGDALDH1A1HTR3EHTR3B
SCHEMBL6496960 0.85 CHRNA7 (0.63) RAB9ACHRNA7HPGDALDH1A1SMN1; SMN2
SCHEMBL6496958 0.85 CHRNA7 (0.63) RAB9ACHRNA7HPGDALDH1A1SMN1; SMN2
SCHEMBL6486253 0.85 HPGD (0.60) CHRNA7HPGDALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL6501512 0.84 ALDH1A1 (0.59) CHRNA7HPGDALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL6501516 0.84 ALDH1A1 (0.59) CHRNA7HPGDALDH1A1HTR3EHTR3B
SCHEMBL6494905 0.83 CHRNA7 (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6494909 0.83 CHRNA7 (0.51) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6486594 0.82 CHRNA7 (0.53) CHRNA7HPGDHTR3EHTR3BHTR3A

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 NPC1 224/4885RAB9A 1437/4885CHRNA7 1097/4885

“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.