SCHEMBL4125834

SCHEMBL4125834

CC1CCCCN1C(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
ADRA1A P35348 5/20 0.50
GRM5 P41594 1/20 0.50
HRH3 Q9Y5N1 7/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 1/20 0.42
VNN1 O95497 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4137004 0.97 ADRA1A (0.53) HPGDGAAADRA1AGRM5HRH3
SCHEMBL4131640 0.89 ADRA1A (0.46) HPGDGAAADRA1AGRM5HRH3
SCHEMBL4146948 0.87 ADRA1A (0.46) HPGDADRA1AGRM5HRH3LMNA
SCHEMBL4433768 0.85 ADRA1A (0.57) HPGDADRA1AHRH3L3MBTL3L3MBTL1
SCHEMBL4140037 0.84 ALDH1A1 (0.59) HPGDADRA1AHRH3L3MBTL3L3MBTL1
SCHEMBL4130774 0.84 ALDH1A1 (0.59) HPGDADRA1AHRH3L3MBTL3L3MBTL1
SCHEMBL4130746 0.84 GAA (0.60) HPGDGAAGRM5HRH3CA12
SCHEMBL4123429 0.84 ADRA1A (0.64) HPGDADRA1AGRM5HRH3L3MBTL3
SCHEMBL4936546 0.83 HRH3 (0.64) HPGDADRA1AHRH3ALDH1A1HSD17B10
SCHEMBL5909273 0.83 HPGD (0.62) HPGDGAAADRA1AGRM5CA12

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 HPGD 496/4885GAA 1882/4885ADRA1A 420/4885

“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.