SCHEMBL506228

SCHEMBL506228

CCCCN1CC[C@@H](CNC(=O)c2cc(Cl)c(N)c3c2OCCO3)[C@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 11/20 0.60
HTR2C P28335 4/20 0.60
HTR3A P46098 4/20 0.60
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
ADRA2C P18825 4/20 0.59
ADRA1A P35348 4/20 0.59
HTR1D P28221 3/20 0.59
HTR2B P41595 3/20 0.59
ADRA2A P08913 2/20 0.59
HTR2A P28223 2/20 0.59
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.59
HRH1 P35367 1/20 0.59

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
SCHEMBL506226 1.00 HTR4 (0.60) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL506227 1.00 HTR4 (0.60) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL10044419 0.95 HTR4 (0.54) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL506222 0.91 HTR4 (0.60) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL506220 0.91 HTR4 (0.60) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL506221 0.91 HTR4 (0.60) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL10044433 0.90 HTR4 (0.49) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL13603162 0.90 HTR4 (0.47) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL13610719 0.90 HTR4 (0.47) HTR4HTR2CHTR3AHTR3EHTR3B
SCHEMBL505611 0.89 HTR4 (0.54) HTR4HTR2CHTR3AHTR3EHTR3B

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 16 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
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-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 (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-20060142342-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 HTR4 248/4885HTR2C 75/4885HTR3A 555/4885
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 HTR4 244/4885HTR2C 71/4885HTR3A 492/4885
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 565/4885HTR2C 432/4885HTR3A 756/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 HTR4 257/4885HTR2C 137/4885HTR3A 664/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 HTR4 389/4885HTR2C 437/4885HTR3A 1279/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC HTR4 407/4885HTR2C 314/4885HTR3A 1036/4885
US-20040058958-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives ALK, HRH2, CBR1 HTR4 149/4885HTR2C 109/4885HTR3A 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.