SCHEMBL505507

SCHEMBL505507

Nc1c(Cl)cc(C(=O)O)c2c1OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.41
CYP3A4 P08684 2/20 0.37
HTR2C P28335 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.37
THRB P10828 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL2944408 0.90 HTR4 (0.50) HTR4CYP3A4HTR2CHTR3AHTR3E
SCHEMBL1502018 0.76 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL7353994 0.75 HTR4 (0.52) HTR4CYP3A4HTR2CHTR3AHTR3E
SCHEMBL505731 0.73 HTR4 (0.36) HTR4CYP3A4HTR2CHTR3AHTR3E
SCHEMBL13091644 0.73 ALDH1A1 (0.38) CYP3A4LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL7395299 0.73 HTT (0.33) HTR4CYP3A4HTR3AHTR3EHTR3B
SCHEMBL5316552 0.73 HTR4 (0.47) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL31503642 0.72 ALDH1A1 (0.39) CYP3A4HTTPOLBTSHRALDH1A1
SCHEMBL24104857 0.72 SMN1; SMN2 (0.40) CYP3A4CYP2D6LMNATHRBNPSR1
SCHEMBL7751844 0.72 HTR4 (0.50) HTR4CYP3A4HTR2CHTR3AHTR3E

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 24 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-6800628-B2 SUCH AS (1-(2-((3-METHYL-2-PYRAZINYL)AMINO)ETHYL)-4-PIPERIDINYL)-METHYL-4-AMINO-5 -CHLORO-2,3-DIHYDRO-7-BENZOFURANCARBOXYLATE JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-05 US disclosed
US-6509339-B2 Gastrointestinal disorders; cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 2003-01-21 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
US-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE (BE) 2002-04-11 US disclosed
US-6291481-B1 CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTRIC EMPTYING AND MORE GENERALLY TO TREAT CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTROINTESTINAL TRANSIT. JANSSEN PHARMACEUTICA, N.V. (BE) 2001-09-18 US 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
EP-0885190-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-23 EP disclosed
WO-1997031897-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1997-09-04 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 248/4885CYP3A4 442/4885HTR2C 75/4885
US-20060142341-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, HRH4, HRH1 HTR4 244/4885CYP3A4 424/4885HTR2C 71/4885
US-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives CBR1, ALK, ESRRA HTR4 388/4885CYP3A4 392/4885HTR2C 206/4885
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 565/4885CYP3A4 782/4885HTR2C 432/4885
US-20020086879-A1 Bicyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives CBR1, ALK, CBR3 HTR4 257/4885CYP3A4 684/4885HTR2C 137/4885
US-20120028987-A1 Bicyclic Benzamides of 3-Or-4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, SLC10A2, HRH4 HTR4 389/4885CYP3A4 138/4885HTR2C 437/4885
US-20100210657-A1 Bicyclic Benzamides of 3-or 4-Substituted 4-(Aminomethyl)-Piperidine Derivatives HRH2, HRH4, PGC HTR4 407/4885CYP3A4 204/4885HTR2C 314/4885

“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.