SCHEMBL6098166

SCHEMBL6098166

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cnc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.58
CHRNA7 P36544 8/20 0.57
CXCR4 P61073 1/20 0.55
DPP4 P27487 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
HTR3A P46098 1/20 0.48
TNKS O95271 1/20 0.48
PREP P48147 1/20 0.46
MGAM O43451 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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 1.00 HPGDS (0.58) HPGDSCHRNA7CXCR4DPP4DPP7
SCHEMBL6099360 0.94 HPGDS (0.59) HPGDSCHRNA7CXCR4DPP4DPP7
SCHEMBL6100380 0.86 HTR3A (0.67) CHRNA7HTR3A
SCHEMBL6100386 0.86 HTR3A (0.67) CHRNA7HTR3A
SCHEMBL6098257 0.82 CHRNA7 (0.68) CHRNA7
SCHEMBL6098251 0.82 CHRNA7 (0.68) CHRNA7
SCHEMBL6101321 0.81 HTR3A (0.66) HPGDSCHRNA7CXCR4HTR3ACHRNB2
SCHEMBL843822 0.81 CHRNA7 (0.65) HPGDSCHRNA7HTR3A
SCHEMBL843075 0.81 CHRNA7 (0.72) HPGDSCHRNA7HTR3A
SCHEMBL842630 0.81 CHRNA7 (0.72) HPGDSCHRNA7HTR3A

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 6 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
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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 1600/4885CHRNA7 1836/4885CXCR4 781/4885

“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.