SCHEMBL4139827

SCHEMBL4139827

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.51
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 6/20 0.47
KDM4E B2RXH2 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 2/20 0.46
ADRA1A P35348 1/20 0.46
HRH3 Q9Y5N1 5/20 0.45
NAMPT P43490 1/20 0.45
CXCR3 P49682 1/20 0.42

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
SCHEMBL4138981 0.90 HRH3 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4130249 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4130511 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4139822 0.87 HRH3 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4129082 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4137012 0.86 HRH3 (0.55) ALDH1A1SMN1; SMN2RAB9AHPGDKDM4E
SCHEMBL4136303 0.86 HRH3 (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14386839 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4129140 0.85 HDAC3 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4129237 0.85 HRH3 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT

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 6 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

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 SCD 4210/4885ALDH1A1 734/4885SMN1; SMN2 838/4885

“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.