SCHEMBL4935637

SCHEMBL4935637

O=C(NC1CC1)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.58
HRH3 Q9Y5N1 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 1/20 0.48
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
NPC1 O15118 4/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL4134903 0.98 SMYD3 (0.55) SMYD3HRH3RAB9AMAPTMBTD1
SCHEMBL4292116 0.96 SMYD3 (0.54) SMYD3HRH3RAB9AMBTD1TP53BP1
SCHEMBL4135221 0.95 SMYD3 (0.53) SMYD3HRH3RAB9ANPC1TSHR
SCHEMBL4125687 0.93 SMYD3 (0.51) SMYD3HRH3RAB9AMBTD1TP53BP1
SCHEMBL4136937 0.86 HRH3 (0.50) SMYD3HRH3RAB9AMAPTMBTD1
SCHEMBL4147027 0.84 HRH3 (0.47) SMYD3HRH3MAPTMBTD1TP53BP1
SCHEMBL4131567 0.84 HRH3 (0.47) SMYD3HRH3RAB9AMAPTMBTD1
SCHEMBL4131206 0.84 CHRNA10 (0.54) SMYD3HRH3MAPTMBTD1TP53BP1
SCHEMBL4927822 0.83 HRH3 (0.47) SMYD3HRH3MBTD1TP53BP1L3MBTL4
SCHEMBL4128900 0.83 HRH3 (0.47) SMYD3HRH3RAB9AMAPTMBTD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US 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 1/4885RAB9A 2320/4885

“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.