SCHEMBL4293876

SCHEMBL4293876

Cn1c(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)cccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.45
USP2 O75604 5/20 0.39
CYP2C9 P11712 4/20 0.39
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 3/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
L3MBTL3 Q96JM7 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP3A4 P08684 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABL1 P00519 1/20 0.36
ADRA1A P35348 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL4935016 0.79 TLR4 (0.49) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4141357 0.77 HRH3 (0.45) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4283256 0.76 CYP1A2 (0.45) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4288657 0.75 HRH3 (0.45) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4937925 0.74 HRH3 (0.45) HRH3CYP1A2CYP2C19L3MBTL3L3MBTL1
SCHEMBL4286110 0.74 HRH3 (0.47) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4136216 0.74 HRH3 (0.44) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4141350 0.74 KMT2A (0.58) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4287899 0.73 HRH3 (0.43) HRH3USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL4280699 0.73 CHRM1 (0.44) HRH3USP2CYP2C9CYP1A2ALDH1A1

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 1/4885USP2 3600/4885CYP2C9 1705/4885

“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.