SCHEMBL4130504

SCHEMBL4130504

Fc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.41
SCD O00767 9/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
KCNH2 Q12809 2/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL4138966 0.91 SCD (0.40) SCDMAPTLMNACNR2
SCHEMBL4130544 0.89 SCD (0.39) SCDTP53KCNH2CNR2
SCHEMBL4125547 0.89 CNR2 (0.42) SCDMAPTKCNH2CNR2
SCHEMBL4143408 0.87 IL4I1 (0.45) SCDCNR2
SCHEMBL4140016 0.85 CNR2 (0.44) SCDMAPTLMNATP53CNR2
SCHEMBL4288681 0.84 SCD (0.50) SCDMAPT
SCHEMBL4134283 0.83 SCD (0.42) SCD
SCHEMBL4130513 0.83 SCD (0.39) SCDKCNH2CNR2
SCHEMBL4130870 0.83 TP53 (0.46) SCDMAPTLMNATP53CNR2
SCHEMBL4130940 0.83 CNR2 (0.45) SCDCNR2

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 ACKR3 146/4885SCD 4210/4885MAPT 1220/4885

“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.