SCHEMBL4034282

SCHEMBL4034282

CNC(=O)c1cnc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.48
HRH1 P35367 1/20 0.48
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
ADRA1A P35348 1/20 0.40
SMO Q99835 1/20 0.39
ACKR3 P25106 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
SCHEMBL4034857 0.89 HRH3 (0.48) HRH3HRH1PARP1ADRA1AACKR3
SCHEMBL4034675 0.89 PARP1 (0.42) HRH3HRH1PARP1ADRA1ASMO
SCHEMBL4031091 0.87 HRH3 (0.51) HRH3ADRA1ASMO
SCHEMBL5211294 0.87 HRH3 (0.50) HRH3HRH1PARP1PARP2
SCHEMBL4032468 0.86 HRH3 (0.42) HRH3ADRA1ASMO
SCHEMBL4034618 0.85 HRH3 (0.41) HRH3ADRA1AACKR3
Hydrochloric Acid SCHEMBL4037289 0.85 HRH3 (0.41) HRH3ADRA1ASMO
SCHEMBL4032017 0.84 HRH3 (0.53) HRH3HRH1PARP1PARP2
SCHEMBL5209745 0.78 HRH3 (0.49) HRH3HRH1PARP1
SCHEMBL5456526 0.77 HRH3 (0.61) HRH3HRH1PARP1PARP2SMO

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 620/4885HRH1 658/4885PARP1 803/4885

“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.