SCHEMBL4929423

SCHEMBL4929423

FC1CCN(Cc2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
CXCR3 P49682 1/20 0.41
PARP1 P09874 2/20 0.41
TRPV6 Q9H1D0 5/20 0.40
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PRCP P42785 1/20 0.37
CHRM4 P08173 2/20 0.37

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
SCHEMBL4936141 0.92 L3MBTL3 (0.46) HRH3CXCR3PARP1TRPV6L3MBTL3
SCHEMBL4146940 0.91 L3MBTL3 (0.45) HRH3CXCR3PARP1TRPV6L3MBTL3
SCHEMBL4131264 0.90 HRH3 (0.47) HRH3PARP1TRPV6L3MBTL3L3MBTL1
SCHEMBL4136877 0.90 ADRA1A (0.42) HRH3CXCR3PARP1TRPV6L3MBTL3
SCHEMBL4134780 0.82 SMO (0.43) HRH3
SCHEMBL4136869 0.81 ALDH1A1 (0.49) HRH3PARP1
SCHEMBL4130564 0.80 SMO (0.46) HRH3
SCHEMBL4432576 0.79 L3MBTL1 (0.46) HRH3TRPV6L3MBTL3L3MBTL1CHRM4
SCHEMBL4122718 0.76 HRH3 (0.42) HRH3CXCR3
SCHEMBL4936071 0.75 KDM4E (0.51) HRH3CXCR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US 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 HRH3 1/4885CXCR3 717/4885PARP1 2764/4885

“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.