SCHEMBL6097134

SCHEMBL6097134

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.54
BCAT1 P54687 1/20 0.46
CXCR4 P61073 1/20 0.46
MGAM O43451 1/20 0.46
ABCB1 P08183 1/20 0.45
PREP P48147 1/20 0.44
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
TNKS O95271 1/20 0.42
HTR3A P46098 1/20 0.42
KDR P35968 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 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
SCHEMBL6101342 0.85 HTR3A (0.59) BCAT1HTR3ACHRNA7
SCHEMBL6100330 0.82 SSTR3 (0.47)
Hydrochloric Acid SCHEMBL7126791 0.81 SSTR3 (0.46)
SCHEMBL7232870 0.81 HPGDS (0.38) HPGDSCHRNB2CHRNA7CHRNA4
SCHEMBL6101178 0.81 HPGDS (0.52) HPGDSBCAT1CXCR4MGAMABCB1
SCHEMBL6100127 0.80 HPGDS (0.51) HPGDSBCAT1CXCR4MGAMABCB1
SCHEMBL5917815 0.79 CHRNA7 (0.48) HTR3ACHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL5231652 0.78 CHRNA7 (0.47) HTR3ACHRNB2CHRNA7CHRNA4
SCHEMBL6832879 0.75 HPGDS (0.57) HPGDSBCAT1CXCR4MGAMABCB1
SCHEMBL5258735 0.75 HPGDS (0.57) HPGDSBCAT1CXCR4MGAMABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HPGDS 1600/4885BCAT1 1476/4885CXCR4 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.