SCHEMBL10044418

SCHEMBL10044418

CCCn1ccn(CC)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.39
▸ PDE4B Q07343 7/20 0.39
▸ PDE4C Q08493 7/20 0.39
▸ PDE4D Q08499 7/20 0.39
▸ ADORA2A P29274 5/20 0.39
▸ ADORA2B P29275 3/20 0.39
▸ TYR P14679 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PDE1A P54750 2/20 0.36
▸ PDE1B Q01064 2/20 0.36
▸ PDE1C Q14123 2/20 0.36
▸ LPO P22079 4/20 0.32
▸ GMNN O75496 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32

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
SCHEMBL18686733 0.93 TYR (0.41) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4623309 0.87 MAPT (0.39) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10436903 0.82 LPO (0.34) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL15906247 0.81 TYR (0.37) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL14257134 0.78 — —
SCHEMBL6678530 0.76 PTGS1 (0.48) ADORA2AALDH1A1LMNAMAPTNPSR1
SCHEMBL14516273 0.74 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5670030 0.71 LPO (0.44) LPO
SCHEMBL7274815 0.70 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL25160404 0.69 ALDH1A1 (0.43) GSK3AGSK3BALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318742-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-11-27 — — US disclosed
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-02 — — US disclosed
US-8063070-B2 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2011-11-22 — — US disclosed
US-7790750-B2 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 — — US disclosed
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — US disclosed
US-RE40793-E1 Bicyclic benzamides of 3-or 4-substituted 4-(aminomethyl)-piperidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2009-06-23 — — US disclosed
US-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A 2007-02-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070037850-A1 used for the prophylaxis and therapeutic treatment of conditions involving decreased gastrointestinal motility, in particular decreased gastric emptying; gastrointestinal disorders HRH2, HRH4, GIPR PDE4A 2868/4885PDE4B 3423/4885PDE4C 2956/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 PDE4A 162/4885PDE4B 201/4885PDE4C 292/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC PDE4A 210/4885PDE4B 274/4885PDE4C 335/4885

“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.

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