SCHEMBL6099360

SCHEMBL6099360

O=C(N[C@@H]1CC2CCN(CC2)C1)c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.59
CXCR4 P61073 1/20 0.56
HTR3A P46098 1/20 0.52
DPP4 P27487 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
CHRNA7 P36544 8/20 0.50
TNKS O95271 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
PREP P48147 1/20 0.46
MGAM O43451 1/20 0.46

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
SCHEMBL6098172 0.94 HPGDS (0.58) HPGDSCXCR4HTR3ADPP4DPP7
SCHEMBL6098166 0.94 HPGDS (0.58) HPGDSCXCR4HTR3ADPP4DPP7
SCHEMBL6101169 0.85 HTR3A (0.71) HTR3ACHRNA7
SCHEMBL6098306 0.83 HTR3A (0.74) HPGDSHTR3ACHRNA7CHRNB2CHRNA4
SCHEMBL6098153 0.82 CHRNA7 (0.60) CHRNA7
Hydrochloric Acid SCHEMBL6100277 0.82 HTR3A (0.72) HPGDSHTR3ACHRNA7CHRNB2CHRNA4
SCHEMBL842612 0.80 CHRNA7 (0.64) HPGDSHTR3ACHRNA7
SCHEMBL6100380 0.80 HTR3A (0.67) HTR3ACHRNA7
SCHEMBL6100386 0.80 HTR3A (0.67) HTR3ACHRNA7
SCHEMBL843982 0.80 CHRNA7 (0.58) HPGDSHTR3ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
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
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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 HPGDS 1600/4885CXCR4 781/4885HTR3A 3325/4885

“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.