SCHEMBL4284430

SCHEMBL4284430

c1cncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)C4)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
USP2 O75604 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
CYP3A4 P08684 5/20 0.42
CYP1A2 P05177 5/20 0.42
MAPK1 P28482 5/20 0.42
CYP2C9 P11712 4/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 5/20 0.41
CYP2D6 P10635 3/20 0.41
FFAR4 Q5NUL3 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39

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
SCHEMBL4935040 0.94 KDM2B (0.48) KDM2BHRH3USP2SMN1; SMN2CYP3A4
SCHEMBL4931795 0.94 KDM2B (0.49) KDM2BHRH3USP2SMN1; SMN2CYP3A4
SCHEMBL4136921 0.83 KDM2B (0.44) KDM2BHRH3CYP3A4CYP1A2CYP2C9
SCHEMBL4136957 0.80 HRH3 (0.47) KDM2BHRH3USP2SMN1; SMN2CYP3A4
SCHEMBL4140809 0.80 KDM2B (0.45) KDM2BHRH3CYP3A4CYP1A2CYP2C9
SCHEMBL4141330 0.80 KDM2B (0.43) KDM2BHRH3USP2SMN1; SMN2CYP3A4
SCHEMBL4935533 0.80 KDM2B (0.43) KDM2BHRH3CYP3A4CYP1A2CYP2C9
SCHEMBL4931504 0.80 CYP3A4 (0.50) KDM2BHRH3USP2SMN1; SMN2CYP3A4
SCHEMBL4933778 0.79 KDM2B (0.45) KDM2BHRH3CYP3A4CYP1A2CYP2C9
SCHEMBL3524699 0.79 L3MBTL3 (0.59) KDM2BHRH3CYP3A4CYP1A2CYP2C9

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
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 KDM2B 577/4885HRH3 1/4885USP2 3600/4885

“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.