SCHEMBL18765450

SCHEMBL18765450

CC(C)(C(=O)[O-])c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.[Na+]

nearest known ligand 0.79

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A known ✓ P27815 1/20 0.58
▸ PDE3A known ✓ Q14432 1/20 0.58
▸ CYP2J2 P51589 13/20 0.79
▸ CYP3A4 P08684 2/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ CYP2B6 P20813 2/20 0.69
▸ HRH1 P35367 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ KCNH2 Q12809 2/20 0.58
▸ CNR1 P21554 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ DRD2 P14416 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57

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
SCHEMBL1395734 0.91 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL3681404 0.90 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL13525525 0.90 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765452 0.90 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765451 0.89 CYP2J2 (0.81) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Terfenadone SCHEMBL11364486 0.89 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11826925 0.89 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11830435 0.88 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Terfenadone SCHEMBL11801242 0.88 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2265221 0.87 CYP2J2 (0.78) CYP2J2CYP3A4CYP2C9CYP2B6HRH1

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-10696633-B2 Process for the preparation of fexofenadine and of intermediates used therein SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2020-06-30 — — US disclosed
EP-3365327-B1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN SANOFI AVENTIS DEUTSCHLAND (DE) 2019-11-20 — — EP disclosed
US-20180297951-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2018-10-18 — — US disclosed
EP-3365327-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN Sanofi-Aventis Deutschland GmbH (DE) 2018-08-29 — — EP disclosed
WO-2017068129-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2017-04-27 — — 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-10696633-B2 Process for the preparation of fexofenadine and of intermediates used therein CYP4F2, CYP4F3, NISCH PDE4A 726/4885PDE3A 647/4885CYP2J2 186/4885
US-20180297951-A1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN CYP4F2, CYP4F3, NISCH PDE4A 726/4885PDE3A 647/4885CYP2J2 186/4885

“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.

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