SCHEMBL4125514

SCHEMBL4125514

CNC(=O)c1ccc(CN2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.51
MBTD1 Q05BQ5 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CCR5 P51681 4/20 0.48
CXCR3 P49682 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
KCNH2 Q12809 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4138948 0.86 KDM4E (0.54) HRH3MBTD1L3MBTL3L3MBTL1CXCR3
SCHEMBL4286696 0.84 HRH3 (0.54) HRH3MBTD1L3MBTL3L3MBTL1KDM4E
SCHEMBL4136937 0.82 HRH3 (0.50) HRH3MBTD1L3MBTL3L3MBTL1HDAC6
SCHEMBL4131567 0.80 HRH3 (0.47) HRH3MBTD1L3MBTL3L3MBTL1HDAC6
SCHEMBL4927822 0.79 HRH3 (0.47) HRH3MBTD1L3MBTL3L3MBTL1HDAC6
SCHEMBL4128900 0.79 HRH3 (0.47) HRH3MBTD1L3MBTL3L3MBTL1HDAC6
SCHEMBL15705708 0.78 HDAC6 (0.73) HRH3HDAC1HDAC6HDAC8KCNH2
SCHEMBL4143448 0.77 ALDH1A1 (0.59) HRH3CYP2D6KMT2ASMN1; SMN2
SCHEMBL10154018 0.77 HDAC6 (0.71) HRH3HDAC1HDAC6HDAC8KCNH2
SCHEMBL4236471 0.76 KDM1A (0.50) L3MBTL1CXCR3KDM4ECYP2D6NPC1

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 1/4885MBTD1 2720/4885L3MBTL3 2655/4885

“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.