SCHEMBL3029927

SCHEMBL3029927

CC1(C)Cc2c(N)c(Cl)cc(C(=O)NCC3CCN(C(=O)O)CC3O)c2O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.40
HTR4 Q13639 4/20 0.39
HTR3A P46098 3/20 0.39
DRD2 P14416 3/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL3029931 1.00 PTGES (0.40) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL3029923 1.00 PTGES (0.40) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL505533 0.89 IL1B (0.39) PTGESHTR4HTR3ADRD2HTR3E
Revexepride SCHEMBL505587 0.84 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
Revexepride SCHEMBL15773835 0.84 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
Revexepride SCHEMBL505585 0.84 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
Revexepride SCHEMBL505586 0.84 HTR4 (0.53) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL1340340 0.82 PTGES (0.38) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL506419 0.81 PTGES (0.43) PTGESHTR4HTR3ADRD2HTR3E
SCHEMBL506421 0.81 PTGES (0.43) PTGESHTR4HTR3ADRD2HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A 2006-06-29 US disclosed
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A 2006-06-29 US disclosed
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2004-03-25 US disclosed
US-6635643-B2 For treating conditions which are related to impairment of gastric emptying JANSSEN PHARMACEUTICA, N.V. (BE) 2003-10-21 US disclosed
EP-0991410-B1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-10-30 EP disclosed
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2002-07-04 US disclosed
EP-1206938-A1 Gastrokinetic bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)- piperdine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-22 EP disclosed
EP-0991410-A1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATES JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-12 EP disclosed
WO-1999002156-A1 GASTROKINETIC BICYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO 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 (5 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-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 PTGES 2346/4885HTR4 248/4885HTR3A 555/4885
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 PTGES 2392/4885HTR4 244/4885HTR3A 492/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 PTGES 3383/4885HTR4 257/4885HTR3A 664/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC PTGES 269/4885HTR4 407/4885HTR3A 1036/4885
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives ALK, HRH2, CBR1 PTGES 3847/4885HTR4 149/4885HTR3A 592/4885

“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.