SCHEMBL4433768

SCHEMBL4433768

O=C(c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL3 Q96JM7 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
HRH3 Q9Y5N1 8/20 0.52
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48

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
SCHEMBL4130774 0.99 ALDH1A1 (0.59) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL4140037 0.99 ALDH1A1 (0.59) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL4123429 0.91 ADRA1A (0.64) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL4134873 0.91 ALDH1A1 (0.65) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL4563696 0.91 ADRA1A (0.54) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL13648899 0.88 ALDH1A1 (0.64) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL4137124 0.87 ADRA1A (0.59) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL4936557 0.87 ADRA1A (0.50) ADRA1AALDH1A1KDM4EPOLBHPGD
SCHEMBL4130587 0.87 HRH3 (0.51) ADRA1AHRH3
SCHEMBL13648890 0.87 ALDH1A1 (0.67) ADRA1AALDH1A1KDM4EPOLBHPGD

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 ADRA1A 420/4885ALDH1A1 734/4885KDM4E 1025/4885

“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.