SCHEMBL506210

SCHEMBL506210

CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)cc2OC)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.78
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
ACHE P22303 1/20 0.71
KMT2A Q03164 1/20 0.71
DRD2 P14416 2/20 0.67
DRD4 P21917 2/20 0.67
DRD3 P35462 2/20 0.67

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
SCHEMBL7389964 0.92 HTR4 (0.78) HTR4DRD2DRD4DRD3
SCHEMBL7389801 0.91 HTR4 (0.77) HTR4DRD2DRD4DRD3
SCHEMBL7385451 0.90 HTR4 (0.76) HTR4
SCHEMBL9021817 0.90 HTR4 (0.76) HTR4DRD2DRD4DRD3
SCHEMBL7387877 0.90 HTR4 (0.76) HTR4
SCHEMBL7388247 0.90 HTR4 (0.70) HTR4
SCHEMBL14827422 0.90 HTR4 (0.75) HTR4DRD2DRD4DRD3
SCHEMBL7390409 0.89 HTR4 (0.69) HTR4
SCHEMBL9021907 0.89 HTR4 (0.71) HTR4DRD2DRD4DRD3
SCHEMBL7389932 0.89 HTR4 (0.73) HTR4MEN1ALDH1A1CYP2D6CYP2C9

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 21 patents — showing the first 20. 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
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-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-6750349-B2 SUPERIOR GASTROKINETIC PROPERTIES JANSSEN PHARMACEUTICS, N.V. (BE) 2004-06-15 US disclosed
EP-1000028-B1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-26 EP 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-0885190-B1 N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2003-05-07 EP disclosed
US-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-04-24 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-6452013-B1 FOR TREATING CONDITIONS WHICH ARE RELATED TO IMPAIRMENT OF GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-17 US 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-1000028-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002494-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES 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 (7 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-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, ALK, CBR1 HTR4 124/4885MEN1 3358/4885ALDH1A1 2457/4885
US-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 HTR4 248/4885MEN1 4375/4885ALDH1A1 1585/4885
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 HTR4 244/4885MEN1 4363/4885ALDH1A1 1440/4885
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 HTR4 565/4885MEN1 3812/4885ALDH1A1 2191/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 HTR4 257/4885MEN1 4715/4885ALDH1A1 1428/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 HTR4 389/4885MEN1 3202/4885ALDH1A1 766/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC HTR4 407/4885MEN1 3137/4885ALDH1A1 910/4885

“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.