Terfenadine

Terfenadine

SCHEMBL5999024

CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.CC(C)(C)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HRH1

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 known ✓ P35367 3/20 1.00
▸ KCNH2 Q12809 3/20 1.00
▸ LMNA P02545 3/20 1.00
▸ DRD3 P35462 3/20 1.00
▸ HTR2A P28223 2/20 1.00
▸ HTR2B P41595 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ DRD2 P14416 2/20 1.00
▸ CYP2J2 P51589 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ NPC1 O15118 1/20 1.00
▸ CACNA1F O60840 1/20 1.00
▸ GMNN O75496 1/20 1.00
▸ USP2 O75604 1/20 1.00
▸ EGFR P00533 1/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ FYN P06241 1/20 1.00
▸ CHRM2 P08172 1/20 1.00
▸ ABCB1 P08183 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00

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
Terfenadine SCHEMBL5152 1.00 KCNH2 (1.00) KCNH2LMNAHRH1DRD3HTR2A
Terfenadine SCHEMBL5998456 1.00 KCNH2 (1.00) KCNH2LMNAHRH1DRD3HTR2A
R-Terfenadine SCHEMBL155924 1.00 KCNH2 (1.00) KCNH2LMNAHRH1DRD3HTR2A
Terfenadine SCHEMBL5999023 1.00 KCNH2 (1.00) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL11857869 1.00 KCNH2 (1.00) KCNH2LMNAHRH1DRD3HTR2A
R-Terfenadine SCHEMBL17732284 0.99 KCNH2 (0.98) KCNH2LMNAHRH1DRD3HTR2A
Terfenadine SCHEMBL11546558 0.99 KCNH2 (0.98) KCNH2LMNAHRH1DRD3HTR2A
Terfenadine SCHEMBL27965234 0.99 KCNH2 (0.98) KCNH2LMNAHRH1DRD3HTR2A
Terfenadine SCHEMBL17732283 0.99 KCNH2 (0.98) KCNH2LMNAHRH1DRD3HTR2A
SCHEMBL11871354 0.98 KCNH2 (0.96) KCNH2LMNAHRH1DRD3HTR2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014793-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1, 1-dimethylethyl) phenyl] -4- (hydroxydiphenylmethyl) -1-piperidinebutanol and derivative compounds MERRELL PHARMACEUTICALS INC. (US) 2006-01-19 — — US disclosed
US-20040186137-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol and derivative compounds MERRELL PHARMACEUTICALS INC. 2004-09-23 — — US disclosed
US-20030078429-A1 Process and diastereomeric salts useful for the optical resolution of racemic a-[4- (1,1-dimethylethy) phenyl) -4- (hydroxydipenylmethyl) -1-piperidinebutanol and derivative compounds NAKAMURA MITSUO (JP) 2003-04-24 — — US disclosed
EP-0759904-B1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC 4-[4-[-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL]-1-HYDROXYBUTYL]-ALPHA,ALPHA-DIMETHYLBENZENE ACETIC ACID. MERRELL PHARMA INC (US) 2000-07-05 — — EP disclosed
EP-0759904-A1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC ALPHA-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1997-03-05 — — EP disclosed
WO-1995031436-A1 PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC α-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1995-11-23 — — WO disclosed
EP-0316434-B1 COUGH/COLD MIXTURES COMPRISING NON-SEDATING ANTIHISTAMINE DRUGS Analgesic Associates (US) 1992-08-19 — — EP disclosed
EP-0316434-A4 COUGH/COLD MIXTURES COMPRISING NON-SEDATING ANTIHISTAMINE DRUGS. SUNSHINE ABRAHAM (US) 1989-10-16 — — EP disclosed
EP-0316434-A1 COUGH/COLD MIXTURES COMPRISING NON-SEDATING ANTIHISTAMINE DRUGS. SUNSHINE ABRAHAM (US) 1989-05-24 — — EP disclosed
WO-1988009656-A1 COUGH/COLD MIXTURES COMPRISING NON-SEDATING ANTIHISTAMINE DRUGS SUNSHINE ABRAHAM (US) 1988-12-15 — — 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 (3 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-20060014793-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1, 1-dimethylethyl) phenyl] -4- (hydroxydiphenylmethyl) -1-piperidinebutanol and derivative compounds ARRB1, DHCR24, ADRB1 HRH1 274/4885KCNH2 4089/4885LMNA 2259/4885
US-20030078429-A1 Process and diastereomeric salts useful for the optical resolution of racemic a-[4- (1,1-dimethylethy) phenyl) -4- (hydroxydipenylmethyl) -1-piperidinebutanol and derivative compounds ARRB1, HTR4, HCAR1 HRH1 465/4885KCNH2 4514/4885LMNA 3041/4885
US-20040186137-A1 Process and diastereomeric salts useful for the optical resolution of racemic alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol and derivative compounds REN, DHCR24, HCAR1 HRH1 267/4885KCNH2 4371/4885LMNA 2839/4885

“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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