SCHEMBL4136511

SCHEMBL4136511

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HRH3 Q9Y5N1 6/20 0.52
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
USP2 O75604 2/20 0.46
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL4141350 0.96 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTHRH3
SCHEMBL4427879 0.96 KMT2A (0.57) KMT2AMEN1ALDH1A1MAPTHRH3
SCHEMBL4123176 0.88 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTHRH3
SCHEMBL4123114 0.88 HRH3 (0.56) KMT2AMEN1ALDH1A1HRH3L3MBTL3
SCHEMBL4131556 0.86 HRH3 (0.60) KMT2AMEN1HRH3L3MBTL3L3MBTL1
SCHEMBL4136937 0.86 HRH3 (0.50) KMT2AMEN1MAPTHRH3L3MBTL3
SCHEMBL4130409 0.86 HRH3 (0.49) KMT2AMEN1ALDH1A1MAPTHRH3
SCHEMBL3968371 0.84 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTHRH3
SCHEMBL4123123 0.84 HRH3 (0.59) ALDH1A1MAPTHRH3L3MBTL3L3MBTL1
SCHEMBL4147049 0.84 L3MBTL3 (0.67) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1

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 8 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
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP 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
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 KMT2A 270/4885MEN1 1522/4885ALDH1A1 734/4885

“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.