SCHEMBL6098549

SCHEMBL6098549

O=C(NC1CC2CC1CN2)c1ccc2ncccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.60
PLK1 P53350 1/20 0.53
CHRNA7 P36544 3/20 0.49
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 1/20 0.46
BCAT1 P54687 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
DOT1L Q8TEK3 1/20 0.43

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
SCHEMBL6101178 0.85 HPGDS (0.52) HTR3ACHRNA7HDAC1HDAC2BCAT1
SCHEMBL6101484 0.83 SSTR3 (0.47)
SCHEMBL6101342 0.81 HTR3A (0.59) HTR3APLK1CHRNA7ALOX15HTT
SCHEMBL6099187 0.81 HTR3A (0.56) HTR3APLK1CHRNA7ALOX15HTT
SCHEMBL6389596 0.79 SMYD3 (0.55) CHRNA7TAS1R3TAS1R1RAB9ANPC1
SCHEMBL6395223 0.79 TAS1R3 (0.47) HTR3ACHRNA7ALOX15TAS1R3TAS1R1
SCHEMBL6099763 0.78 DEGS1 (0.39) CHRNA7RAB9ANPC1
SCHEMBL6392189 0.77 ROCK2 (0.53) RAB9ANPC1
SCHEMBL6099232 0.77 SSTR3 (0.41) HTR3ATAS1R3TAS1R1
SCHEMBL6100183 0.77 CYP2C9 (0.38) HTR3ACHRNA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 HTR3A 3325/4885PLK1 4179/4885CHRNA7 1836/4885

“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.