SCHEMBL4288657

SCHEMBL4288657

CCCn1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
FFAR4 Q5NUL3 1/20 0.39
L3MBTL3 Q96JM7 7/20 0.38
L3MBTL1 Q9Y468 7/20 0.38
TP53BP1 Q12888 2/20 0.38
USP2 O75604 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4136216 0.91 HRH3 (0.44) HRH3FFAR4L3MBTL3L3MBTL1TP53BP1
SCHEMBL4935016 0.85 TLR4 (0.49) HRH3FFAR4L3MBTL3L3MBTL1TP53BP1
SCHEMBL4122793 0.84 HRH3 (0.40) HRH3FFAR4L3MBTL3L3MBTL1TP53BP1
SCHEMBL4286110 0.81 HRH3 (0.47) HRH3FFAR4L3MBTL3L3MBTL1USP2
SCHEMBL4141357 0.77 HRH3 (0.45) HRH3FFAR4L3MBTL3L3MBTL1USP2
SCHEMBL4931504 0.75 CYP3A4 (0.50) HRH3FFAR4L3MBTL3L3MBTL1USP2
SCHEMBL4287899 0.75 HRH3 (0.43) HRH3FFAR4L3MBTL3L3MBTL1USP2
SCHEMBL4280699 0.75 CHRM1 (0.44) HRH3L3MBTL3L3MBTL1USP2ALDH1A1
SCHEMBL4293876 0.75 HRH3 (0.45) HRH3FFAR4L3MBTL3L3MBTL1TP53BP1
SCHEMBL4141352 0.75 FFAR4 (0.48) HRH3FFAR4L3MBTL3L3MBTL1TP53BP1

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 6 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

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 HRH3 1/4885FFAR4 514/4885L3MBTL3 2655/4885

“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.