SCHEMBL4031778

SCHEMBL4031778

CC(=O)c1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.66
ADRA1A P35348 5/20 0.43
KDM1A O60341 1/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5209685 0.86 HRH3 (0.75) HRH3ADRA1A
SCHEMBL6117792 0.82 HRH3 (0.66) HRH3ADRA1AMAPTSMN1; SMN2NPC1
SCHEMBL4031972 0.82 HRH3 (0.65) HRH3
SCHEMBL4936546 0.82 HRH3 (0.64) HRH3ADRA1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4032905 0.82 KMT2A (0.57) HRH3MAPTNPC1ALDH1A1RAB9A
SCHEMBL19598739 0.81 HRH3 (0.54) HRH3KDM1AMAPTSMN1; SMN2NPC1
SCHEMBL14843953 0.79 HRH3 (1.00) HRH3
SCHEMBL3774013 0.79 HRH3 (0.66) HRH3ADRA1AMAPTSMN1; SMN2ALDH1A1
SCHEMBL19598748 0.79 HRH3 (0.52) HRH3KDM1AMAPTSMN1; SMN2NPC1
SCHEMBL4290718 0.79 HRH3 (0.60) HRH3ADRA1AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US claimed
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 HRH3 620/4885ADRA1A 558/4885KDM1A 1447/4885

“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.