SCHEMBL4580935

SCHEMBL4580935

CCOC(=O)C(C)(C)c1cccc(C(O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ LMNA P02545 3/20 0.42
▸ HRH1 P35367 3/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CACNA1G O43497 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL1969399 0.90 LMNA (0.51) OPRM1OPRK1OPRD1LMNAHRH1
SCHEMBL4579722 0.89 HRH1 (0.53) OPRM1OPRK1OPRD1LMNAHRH1
SCHEMBL6450278 0.87 ALDH1A1 (0.35) OPRK1OPRD1CACNA1GMEN1MAPT
SCHEMBL11382034 0.79 OPRK1 (0.50) OPRM1OPRK1OPRD1LMNAHRH1
SCHEMBL1968862 0.78 LMNA (0.64) OPRM1OPRK1OPRD1LMNAHRH1
Hydrochloric Acid SCHEMBL11380464 0.78 OPRK1 (0.49) OPRM1OPRK1OPRD1LMNAHRH1
SCHEMBL11369294 0.76 OPRD1 (0.35) OPRK1OPRD1MEN1MAPTKMT2A
SCHEMBL9075810 0.75 KCNH2 (0.61) OPRM1OPRK1OPRD1LMNAHRH1
SCHEMBL1973769 0.74 HRH1 (0.47) OPRM1OPRK1OPRD1LMNAHRH1
SCHEMBL6451132 0.74 HRH1 (0.59) OPRM1OPRK1LMNAHRH1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227983-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION AMR TECHNOLOGY, INC. (US) 2008-09-18 — — US disclosed
US-7390906-B2 Forming ketone intermediates to terfenadine carboxylic acid metabolite; by use of pure regioisomer of 4-(Cyclopropyl-oxo-methyl)-alpha,alpha-dimethylphenylacetic acid AMR TECHNOLOGY, INC. (US) 2008-06-24 — — US disclosed
US-7238834-B2 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2007-07-03 — — US disclosed
US-20060241303-A1 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2006-10-26 — — US disclosed
US-7022880-B2 Piperidine derivatives and process for their production AMR TECHNOLOGY , INC. (US) 2006-04-04 — — US disclosed
US-20060052610-A1 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2006-03-09 — — US disclosed
US-6797826-B2 ACYLATING A STARTING COMPOUND CONTAINING CARBOXY OR AMIDE OR ESTER-ISOPROPYLBENZENE COMPOUND WITH AN CHLOROBUTANOYLHALIDE TO FORM MIXTURE OF REGIOISOMER, HYDROLYZING TO FORM SECOND MIXTURE AND RECOVERING SUBSTANTIALLY PURE RGIOISMOR AMR TECHNOLOGY, INC. 2004-09-28 — — US disclosed
EP-1369409-A1 Process for preparing compounds useful as intermediates ALBANY MOLECULAR RESEARCH, INC. (US) 2003-12-10 — — EP disclosed
US-20030018196-A1 Piperidine derivatives and process for their production BARCLAYS BANK PLC, AS THE COLLATERAL AGENT 2003-01-23 — — US disclosed
US-20020007068-A1 Piperidine derivatives and process for their production D AMBRA THOMAS E (US) 2002-01-17 — — US disclosed
EP-1026147-A1 Compounds useful as intermediates in the production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2000-08-09 — — EP disclosed
US-5994549-A Piperidine derivatives and process for their production ALBANY MOLECULAR RESEARCH, INC. (US) 1999-11-30 — — US disclosed
EP-0703902-B1 PROCESS FOR THE PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RES INC (US) 1998-12-16 — — EP disclosed
US-5663412-A Aromatic ketones ALBANY MOLECULAR RESEARCH, INC. (US) 1997-09-02 — — US disclosed
US-5589487-A Piperidine derivatives and process for their production ALBANY MOLECULAR RESEARCH, INC. (US) 1996-12-31 — — US disclosed
US-5578610-A Piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 1996-11-26 — — US disclosed
EP-0723958-A1 Synthesis of substantially pure terfenadine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 1996-07-31 — — EP disclosed
EP-0703902-A4 — ALBANY MOLECULAR RES INC (US) 1996-04-10 — — EP disclosed
EP-0703902-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1996-04-03 — — EP disclosed
WO-1995000482-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1995-01-05 — — 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 (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-20030018196-A1 Piperidine derivatives and process for their production DRD4, HRH4, DRD2 OPRM1 23/4885OPRK1 138/4885OPRD1 11/4885
US-20060241303-A1 Piperidine derivatives and process for their production HRH4, DRD4, H1-4 OPRM1 75/4885OPRK1 190/4885OPRD1 49/4885
US-20060052610-A1 Piperidine derivatives and process for their production HRH4, DRD4, H1-4 OPRM1 75/4885OPRK1 190/4885OPRD1 49/4885
US-20080227983-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION HRH4, DRD4, H1-4 OPRM1 64/4885OPRK1 189/4885OPRD1 40/4885
US-20020007068-A1 Piperidine derivatives and process for their production DRD4, HRH4, DRD2 OPRM1 23/4885OPRK1 138/4885OPRD1 11/4885

“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.

Send feedback