SCHEMBL4130522

SCHEMBL4130522

c1ccc(CCN2CCN(c3ccc(N4CCC5(CC4)CCN(C4CCC4)CC5)nc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
L3MBTL3 Q96JM7 7/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43

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
SCHEMBL4432576 0.90 L3MBTL1 (0.46) MAPTL3MBTL3L3MBTL1HRH3CASP1
SCHEMBL4137300 0.86 HRH3 (0.53) DRD2L3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL4130776 0.83 KDM4E (0.46) MAPTHRH3
SCHEMBL4134768 0.83 CDK4 (0.45) DRD2HRH3
SCHEMBL4131128 0.83 RET (0.36) DRD2L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4147059 0.83 HRH3 (0.45) HRH3
SCHEMBL4934963 0.82 HRH4 (0.41) MAPTHRH3
SCHEMBL4130945 0.82 HRH3 (0.43) MAPTL3MBTL3L3MBTL1MBTD1HRH3
SCHEMBL4125756 0.82 RAD52 (0.38) HRH3
SCHEMBL14387371 0.82 DGAT1 (0.35) HRH3

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 7 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
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 MAPT 1220/4885HTR1A 116/4885DRD2 763/4885

“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.