Ticalopride

Ticalopride

SCHEMBL6847230

COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@@H]1OC.O.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ticalopride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.85
HTR3A P46098 4/20 0.85
MAPK1 P28482 1/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR5A P47898 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNH2 Q12809 2/20 0.50

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
Ticalopride SCHEMBL17208 0.92 HTR4 (1.00) HTR4HTR3AMAPK1HTR3EHTR3B
Norcisapride SCHEMBL593405 0.92 HTR4 (1.00) HTR4HTR3AMAPK1HTR3EHTR3B
Norcisapride SCHEMBL734363 0.92 HTR4 (1.00) HTR4HTR3AMAPK1HTR3EHTR3B
Norcisapride SCHEMBL3317329 0.92 HTR4 (1.00) HTR4HTR3AMAPK1HTR3EHTR3B
Norcisapride SCHEMBL8245159 0.92 HTR4 (1.00) HTR4HTR3AMAPK1HTR3EHTR3B
Norcisapride SCHEMBL3319911 0.92 HTR4 (1.00) HTR4HTR3AMAPK1HTR3EHTR3B
SCHEMBL9790000 0.89 HTR4 (0.92) HTR4HTR3AMAPK1HTR3EHTR3B
SCHEMBL9789995 0.89 HTR4 (0.92) HTR4HTR3AMAPK1HTR3EHTR3B
SCHEMBL9789990 0.89 HTR4 (0.92) HTR4HTR3AMAPK1HTR3EHTR3B
Water SCHEMBL9721747 0.84 HTR4 (0.80) HTR4HTR3AMAPK1HTR3EHTR3B

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-20040176414-A1 (+)-Norcisapride HEYKANTS JOZEF JAN PIETER (BE) 2004-09-09 US disclosed
EP-1000029-B1 (+)-NORCISAPRIDE USEFUL FOR 5-HT3 AND 5-HT4 MEDIATED DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2003-10-01 EP disclosed
US-20030060485-A1 (+)-norcisapride HEYKANTS JOZEF JAN PIETER (BE) 2003-03-27 US disclosed
EP-1000029-A1 (+)-NORCISAPRIDE USEFUL FOR 5-HT3 AND 5-HT4 MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002496-A1 (+)-NORCISAPRIDE USEFUL FOR 5-HT3 AND 5-HT4 MEDIATED DISORDERS 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 (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-20040176414-A1 (+)-Norcisapride SI, GIPR, SLC10A2 HTR4 93/4885HTR3A 194/4885MAPK1 3028/4885
US-20030060485-A1 (+)-norcisapride SI, GIPR, SLC10A2 HTR4 93/4885HTR3A 194/4885MAPK1 3028/4885

“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.