SCHEMBL4128145

SCHEMBL4128145

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
MMP2 P08253 2/20 0.44
MMP13 P45452 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL3 Q96JM7 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
TP53BP1 Q12888 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PRKD1 Q15139 1/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL4131259 0.89 MEN1 (0.46) HRH3MMP2MMP13MEN1KMT2A
SCHEMBL4293373 0.85 HRH3 (0.47) HRH3MEN1KMT2AL3MBTL3MBTD1
SCHEMBL4291009 0.85 HPGDS (0.49) HRH3KCNH2
SCHEMBL4131206 0.83 CHRNA10 (0.54) HRH3MEN1KMT2AL3MBTL3MBTD1
SCHEMBL4136751 0.83 HDAC6 (0.51) HRH3MMP13MEN1KMT2AHDAC3
SCHEMBL4935796 0.83 LMNA (0.47) HRH3MMP2MMP13MEN1KMT2A
SCHEMBL4130717 0.83 MEN1 (0.46) HRH3MEN1KMT2AL3MBTL3MBTD1
SCHEMBL4292121 0.82 HDAC3 (0.47) HRH3L3MBTL3L3MBTL1ITGB3ITGA2B
SCHEMBL4136937 0.82 HRH3 (0.50) HRH3MMP2MMP13MEN1KMT2A
SCHEMBL3767251 0.81 HRH3 (0.48) HRH3MEN1KMT2AL3MBTL3MBTD1

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 HRH3 1/4885MMP2 4515/4885MMP13 3989/4885

“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.