SCHEMBL4136257

SCHEMBL4136257

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HRH3 Q9Y5N1 4/20 0.42
LMNA P02545 1/20 0.42
NAMPT P43490 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MLYCD O95822 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
MBTD1 Q05BQ5 1/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4129864 0.92 SMYD3 (0.45) ALDH1A1HPGDSMYD3RAB9AHRH3
SCHEMBL4147027 0.88 HRH3 (0.47) ALDH1A1SMYD3HRH3ITGB3ITGA2B
SCHEMBL4137518 0.85 HRH3 (0.45) ALDH1A1HPGDNPC1RAB9AHRH3
SCHEMBL4292121 0.83 HDAC3 (0.47) ALDH1A1HPGDHRH3LMNAITGB3
SCHEMBL4131206 0.83 CHRNA10 (0.54) SMYD3HRH3ITGB3ITGA2BMEN1
SCHEMBL4293373 0.83 HRH3 (0.47) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL4129140 0.82 HDAC3 (0.47) ALDH1A1HPGDNPC1RAB9AHRH3
SCHEMBL4130717 0.82 MEN1 (0.46) HPGDSMYD3HRH3ITGB3ITGA2B
SCHEMBL3773439 0.82 HRH3 (0.45) ALDH1A1HPGDSMYD3NPC1RAB9A
SCHEMBL4131597 0.82 ITGB3 (0.44) SMYD3HRH3NAMPTITGB3ITGA2B

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 ALDH1A1 734/4885HPGD 496/4885SMYD3 751/4885

“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.