SCHEMBL4137012

SCHEMBL4137012

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.55
ADRA1A P35348 1/20 0.48
HDAC1 Q13547 2/20 0.43
CRBN Q96SW2 2/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 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
SCHEMBL4125540 0.91 HRH3 (0.47) HRH3ADRA1AHDAC1ALDH1A1SMN1; SMN2
SCHEMBL4137518 0.89 HRH3 (0.45) HRH3ADRA1AHDAC1ALDH1A1SMN1; SMN2
SCHEMBL4130565 0.89 HRH3 (0.52) HRH3ADRA1AHDAC1KCNH2ALDH1A1
SCHEMBL4138981 0.88 HRH3 (0.46) HRH3ADRA1AHDAC1ALDH1A1SMN1; SMN2
SCHEMBL4139822 0.86 HRH3 (0.48) HRH3ADRA1AHDAC1KCNH2ALDH1A1
SCHEMBL4139827 0.86 SCD (0.51) HRH3ADRA1AHDAC1ALDH1A1SMN1; SMN2
SCHEMBL4125572 0.86 HPGDS (0.53) HRH3ADRA1AHDAC1
SCHEMBL4130692 0.86 HPGDS (0.53) HRH3ADRA1AHDAC1
SCHEMBL4936546 0.85 HRH3 (0.64) HRH3ADRA1AALDH1A1SMN1; SMN2HPGD
SCHEMBL4136303 0.85 HRH3 (0.44) HRH3ADRA1AHDAC1ALDH1A1SMN1; SMN2

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 HRH3 1/4885ADRA1A 420/4885HDAC1 22/4885

“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.