SCHEMBL4134903

SCHEMBL4134903

O=C(NC1CCC1)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.55
HRH3 Q9Y5N1 3/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 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
SCHEMBL4292116 0.99 SMYD3 (0.54) SMYD3HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4135221 0.98 SMYD3 (0.53) SMYD3HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4935637 0.98 SMYD3 (0.58) SMYD3HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4125687 0.93 SMYD3 (0.51) SMYD3HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4136937 0.86 HRH3 (0.50) SMYD3HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4147027 0.84 HRH3 (0.47) SMYD3HRH3SMN1; SMN2MAPK1KMT2A
SCHEMBL4131567 0.84 HRH3 (0.47) SMYD3HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4131206 0.84 CHRNA10 (0.54) SMYD3HRH3TP53KMT2AMEN1
SCHEMBL4128900 0.83 HRH3 (0.47) SMYD3HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL4927822 0.83 HRH3 (0.47) SMYD3HRH3KMT2AMEN1MBTD1

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 SMYD3 751/4885HRH3 1/4885NPC1 2854/4885

“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.