SCHEMBL1968090

SCHEMBL1968090

CCOC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.79
KCNH2 Q12809 4/20 0.79
LMNA P02545 3/20 0.79
DRD3 P35462 3/20 0.79
HTR2A P28223 2/20 0.79
HTR2B P41595 2/20 0.79
BLM P54132 2/20 0.79
CNR1 P21554 1/20 0.79
APEX1 P27695 1/20 0.79
PDE4A P27815 1/20 0.79
PDE3A Q14432 1/20 0.79
DRD2 P14416 2/20 0.78
ALOX15 P16050 1/20 0.78
HSD17B10 Q99714 1/20 0.78
CYP2J2 P51589 5/20 0.72
MEN1 O00255 1/20 0.72
NPC1 O15118 1/20 0.72
CACNA1F O60840 1/20 0.72
GMNN O75496 1/20 0.72
USP2 O75604 1/20 0.72

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
SCHEMBL5999809 1.00 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL5999820 1.00 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL11365096 0.99 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
Terfenadine SCHEMBL8187662 0.97 LMNA (0.77) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11365553 0.95 HRH1 (0.71) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL11378292 0.94 HRH1 (0.72) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL5603264 0.91 HRH1 (0.82) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL1969969 0.91 HRH1 (0.82) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL5603765 0.91 HRH1 (0.82) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL27561918 0.90 KCNH2 (0.69) HRH1KCNH2LMNADRD3HTR2A

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 63 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
US-8476445-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2013-07-02 US disclosed
US-20110295014-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-01 US disclosed
US-8022220-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2011-09-20 US disclosed
EP-1958935-B1 Process for the production of terfenadine and carebastine derivatives with microorganisms ALBANY MOLECULAR RES INC (US) 2011-06-22 EP disclosed
EP-1091938-B1 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTISUB II INC (US) 2010-10-20 EP disclosed
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 US disclosed
US-7691615-B2 Process for the production of piperidine derivatives with microorganisms ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-06 US disclosed
US-7678915-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-16 US disclosed
US-6201124-B1 CONVERTING, WITH A PIPERIDINE COMPOUND, REGIOISOMERS UNDER NON-FRIEDEL-CRAFTS REACTION CONDITIONS ALBANY MOLECULAR RESEARCH, INC. 2001-03-13 US disclosed
US-6153754-A Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2000-11-28 US disclosed
US-6147217-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 2000-11-14 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
WO-2000001671-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2000-01-13 WO 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
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 US 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 (5 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-20110295014-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES OR10J3, NR1H2, NR1H3 HRH1 313/4885KCNH2 686/4885LMNA 4284/4885
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES HPD, PTMA, HAAO HRH1 727/4885KCNH2 2353/4885LMNA 2264/4885
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.