SCHEMBL4032292

SCHEMBL4032292

CCN1CCC(CC2CCN(c3ccc(-c4nc(C)no4)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
TP53 P04637 1/20 0.41
KCNH2 Q12809 5/20 0.41
KMT2A Q03164 1/20 0.38
ACKR3 P25106 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
USP30 Q70CQ3 2/20 0.38
OPRK1 P41145 2/20 0.37
S1PR1 P21453 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 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
SCHEMBL4033470 0.90 KCNH2 (0.41) ACHETP53KCNH2ACKR3GPR119
SCHEMBL4034511 0.88 USP7 (0.45) ACHETP53KCNH2ACKR3GPR119
SCHEMBL4031576 0.85 ACHE (0.41) ACHETP53KCNH2GPR119USP30
SCHEMBL4667317 0.77 LMNA (0.44) TP53KMT2AACKR3GPR119TBK1
Hydrochloric Acid SCHEMBL4668573 0.76 LMNA (0.43) TP53KMT2AACKR3GPR119TBK1
SCHEMBL14290077 0.75 ACHE (0.48) ACHETP53GPR119USP30OPRK1
SCHEMBL5211298 0.71 USP30 (0.42) ACHETP53KCNH2GPR119USP30
SCHEMBL4033859 0.71 CNR2 (0.41) OPRK1OPRM1
Hydrochloric Acid SCHEMBL5215563 0.70 USP30 (0.41) ACHETP53KCNH2GPR119USP30
SCHEMBL5210559 0.70 S1PR1 (0.43) ACHETP53GPR119USP30OPRK1

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

“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.