SCHEMBL4131497

SCHEMBL4131497

c1cncc(-c2cnc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KDM2B Q8NHM5 1/20 0.44
TRPV6 Q9H1D0 3/20 0.39
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CHRM4 P08173 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
BACE1 P56817 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
SCHEMBL4140809 0.87 KDM2B (0.45) HRH3KDM2BTRPV6CYP3A4CYP2D6
SCHEMBL4935121 0.86 HRH3 (0.41) HRH3KDM2BCYP3A4CYP2D6TSHR
SCHEMBL4931795 0.84 KDM2B (0.49) HRH3KDM2BTRPV6CYP3A4TSHR
SCHEMBL4136921 0.83 KDM2B (0.44) HRH3KDM2BTRPV6CYP3A4CYP2D6
SCHEMBL3525447 0.83 HRH3 (0.61) HRH3CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL4141330 0.82 KDM2B (0.43) HRH3KDM2BTRPV6CYP3A4CYP2D6
SCHEMBL5572251 0.82 CYP3A4 (0.43) HRH3CYP3A4CYP2D6TSHRHSD17B10
SCHEMBL4933778 0.81 KDM2B (0.45) HRH3KDM2BCYP3A4CYP2D6HSD17B10
SCHEMBL4134644 0.81 CYP2C9 (0.43) HRH3KDM2BTRPV6CYP3A4CYP2D6
SCHEMBL4935533 0.80 KDM2B (0.43) HRH3KDM2BCYP3A4CYP2D6CYP1A2

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 HRH3 1/4885KDM2B 577/4885TRPV6 2610/4885

“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.