SCHEMBL4131598

SCHEMBL4131598

CC(C)N(C)C(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MBTD1 Q05BQ5 1/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.39
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4130409 0.88 HRH3 (0.49) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4136741 0.86 HRH3 (0.43) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4141288 0.84 HRH3 (0.48) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4130864 0.84 HRH3 (0.47) HRH3CNR1CNR2
SCHEMBL4131549 0.82 NAMPT (0.44) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4136511 0.82 KMT2A (0.62) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4147027 0.81 HRH3 (0.47) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4123114 0.80 HRH3 (0.56) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4131556 0.79 HRH3 (0.60) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL4122836 0.79 HRH3 (0.48) HRH3MEN1KMT2AL3MBTL3L3MBTL1

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 1/4885MEN1 1522/4885KMT2A 270/4885

“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.