SCHEMBL4130544

SCHEMBL4130544

Cc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.39
CNR2 P34972 4/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
TP53 P04637 1/20 0.34
DRD4 P21917 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4130513 0.92 SCD (0.39) SCDCNR2FFAR4HRH3DRD4
SCHEMBL4130504 0.89 ACKR3 (0.41) SCDCNR2TP53KCNH2
SCHEMBL4125547 0.88 CNR2 (0.42) SCDCNR2HRH3DRD4KCNH2
SCHEMBL4143408 0.85 IL4I1 (0.45) SCDCNR2HRH3
SCHEMBL4927925 0.84 CNR2 (0.43) SCDCNR2HRH3TP53NPC1
SCHEMBL4138966 0.83 SCD (0.40) SCDCNR2HRH3
SCHEMBL4134888 0.83 FFAR4 (0.41) SCDCNR2FFAR4HRH3TP53
SCHEMBL4278806 0.82 SCD (0.47) SCDHRH3TP53NPC1RAB9A
SCHEMBL4141279 0.81 SCD (0.40) SCDHRH3TP53NPC1RAB9A
SCHEMBL4288462 0.81 SCD (0.41) SCDTP53NPC1RAB9A

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 SCD 4210/4885CNR2 75/4885FFAR4 514/4885

“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.