SCHEMBL4036039

SCHEMBL4036039

O=C(c1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)cc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
HRH3 Q9Y5N1 7/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MLYCD O95822 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.38
ACHE P22303 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
SCHEMBL4032905 0.84 KMT2A (0.57) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Trifluoroacetic Acid SCHEMBL4034608 0.78 HRH3 (0.48) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL11392219 0.74 MLYCD (0.62) L3MBTL1MLYCDHDAC6KDM4EALDH1A1
SCHEMBL4032479 0.73 HRH3 (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Trifluoroacetic Acid SCHEMBL5222509 0.73 HRH3 (0.44) HRH3ITGB3ITGA2B
SCHEMBL4035015 0.72 HRH3 (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4034706 0.72 HRH3 (0.38) L3MBTL3L3MBTL1MBTD1HRH3
Hydrochloric Acid SCHEMBL4033620 0.71 HRH3 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5456728 0.71 HRH3 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4039849 0.71 HRH3 (0.48) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US claimed

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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT L3MBTL3 2451/4885L3MBTL1 2656/4885MBTD1 142/4885

“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.