SCHEMBL4130768

SCHEMBL4130768

CC(=O)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
HPGD P15428 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 8/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL4140027 0.88 HRH3 (0.45) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL4287049 0.84 HRH3 (0.39) KMT2AMEN1
SCHEMBL4135820 0.84 ALDH1A1 (0.44) ALDH1A1HTT
SCHEMBL5211400 0.83 L3MBTL1 (0.51) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL4136511 0.80 KMT2A (0.62) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL4123176 0.79 MEN1 (0.49) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL3775693 0.78 ALDH1A1 (0.57) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL4141350 0.77 KMT2A (0.58) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL4130771 0.77 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL4427879 0.77 KMT2A (0.57) ALDH1A1L3MBTL1MAPTKMT2ARAB9A

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 ALDH1A1 734/4885HPGD 496/4885L3MBTL1 2620/4885

“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.