SCHEMBL4130940

SCHEMBL4130940

Fc1cccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.45
SCD O00767 2/20 0.39
ABCB1 P08183 1/20 0.38
IL4I1 Q96RQ9 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL4143408 0.91 IL4I1 (0.45) CNR2SCDABCB1IL4I1HRH3
SCHEMBL4141316 0.88 ABCB1 (0.43) CNR2SCDABCB1HRH3
SCHEMBL4130504 0.83 ACKR3 (0.41) CNR2SCD
SCHEMBL4138966 0.83 SCD (0.40) CNR2SCDHRH3
SCHEMBL4294013 0.82 CNR2 (0.56) CNR2HRH3
SCHEMBL4288868 0.82 CNR2 (0.58) CNR2SCD
SCHEMBL4130544 0.81 SCD (0.39) CNR2SCDHRH3
SCHEMBL4125547 0.81 CNR2 (0.42) CNR2SCDHRH3
SCHEMBL4130513 0.81 SCD (0.39) CNR2SCDHRH3
SCHEMBL4130870 0.80 TP53 (0.46) CNR2SCDIL4I1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 CNR2 75/4885SCD 4210/4885ABCB1 1225/4885

“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.