SCHEMBL4134888

SCHEMBL4134888

COc1cc(F)c(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
CNR2 P34972 2/20 0.40
LMNA P02545 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TP53 P04637 6/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
GALR1 P47211 1/20 0.36
THRB P10828 1/20 0.36
ABCB1 P08183 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL4130949 0.86 LMNA (0.49) LMNAHRH3TP53MAPTMEN1
SCHEMBL4140016 0.86 CNR2 (0.44) CNR2LMNAHRH3TP53MAPT
SCHEMBL4928101 0.84 TLR9 (0.48) CNR2LMNAHRH3TP53MAPT
SCHEMBL4127946 0.84 CNR2 (0.58) CNR2LMNAHRH3TP53MAPT
SCHEMBL4927925 0.83 CNR2 (0.43) CNR2LMNAHRH3TP53MAPT
SCHEMBL4123066 0.83 HRH3 (0.44) CNR2LMNAHRH3TP53MAPT
SCHEMBL4130513 0.83 SCD (0.39) FFAR4CNR2HRH3SCD
SCHEMBL4130544 0.83 SCD (0.39) FFAR4CNR2HRH3TP53NPC1
SCHEMBL4138966 0.83 SCD (0.40) CNR2LMNAHRH3MAPTSCD
SCHEMBL4130504 0.83 ACKR3 (0.41) CNR2LMNATP53MAPTSCD

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 FFAR4 514/4885CNR2 75/4885LMNA 4595/4885

“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.