SCHEMBL4033470

SCHEMBL4033470

Cc1noc(-c2ccc(N3CCC(CC4CCN(CC5CC5)CC4)CC3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.41
BRD4 O60885 3/20 0.39
ACKR3 P25106 1/20 0.37
OPRK1 P41145 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
OPRM1 P35372 1/20 0.37
USP30 Q70CQ3 2/20 0.37
S1PR1 P21453 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4032292 0.90 ACHE (0.42) KCNH2ACHETP53ACKR3OPRK1
SCHEMBL4034511 0.87 USP7 (0.45) KCNH2ACHETP53ACKR3OPRK1
SCHEMBL4031576 0.84 ACHE (0.41) KCNH2ACHETP53OPRK1GPR119
SCHEMBL4781814 0.79 TBK1 (0.42) TP53ACKR3GPR119LMNA
SCHEMBL4668251 0.79 TBK1 (0.42) TP53ACKR3GPR119LMNA
SCHEMBL4668454 0.76 IKBKE (0.41) TP53ACKR3GPR119LMNA
SCHEMBL14290077 0.74 ACHE (0.48) ACHETP53OPRK1GPR119USP30
SCHEMBL5211298 0.70 USP30 (0.42) KCNH2ACHETP53OPRK1GPR119
SCHEMBL4033859 0.70 CNR2 (0.41) OPRK1OPRM1
Hydrochloric Acid SCHEMBL5215563 0.70 USP30 (0.41) KCNH2ACHETP53OPRK1GPR119

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 KCNH2 449/4885ACHE 72/4885TP53 4824/4885

“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.