SCHEMBL505533

SCHEMBL505533

CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)[C@@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.39
P2RX7 Q99572 2/20 0.39
PTGES O14684 4/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HTR4 Q13639 4/20 0.37
HTR3A P46098 3/20 0.37
DRD2 P14416 2/20 0.37
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
GNRHR P30968 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2C P18825 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3029927 0.89 PTGES (0.40) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL3029931 0.89 PTGES (0.40) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL3029923 0.89 PTGES (0.40) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL505934 0.85 HTR4 (0.49) IL1BP2RX7HTR4HTR3AHTR3E
SCHEMBL505936 0.85 HTR4 (0.49) IL1BP2RX7HTR4HTR3AHTR3E
Revexepride SCHEMBL15773835 0.81 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
Revexepride SCHEMBL505585 0.81 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
Revexepride SCHEMBL505587 0.81 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
Revexepride SCHEMBL505586 0.81 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL6772439 0.81 DRD2 (0.44) IL1BP2RX7KDM4EPKMHTR4

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 5 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-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 (2 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 IL1B 4730/4885P2RX7 478/4885PTGES 1597/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 IL1B 3494/4885P2RX7 869/4885PTGES 350/4885

“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.