SCHEMBL4579722

SCHEMBL4579722

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 4/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ DRD3 P35462 3/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR2B P41595 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ PDE4A P27815 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ DRD2 P14416 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ OPRM1 P35372 3/20 0.46
▸ OPRK1 P41145 3/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CACNA1F O60840 1/20 0.42

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
SCHEMBL4580935 0.89 OPRM1 (0.44) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL1968862 0.89 LMNA (0.64) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL1973769 0.84 HRH1 (0.47) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL13560828 0.80 HRH1 (0.81) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL16345651 0.80 HRH1 (0.81) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL9075810 0.80 KCNH2 (0.61) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL8680660 0.79 OPRD1 (0.45) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL13516884 0.79 HRH1 (0.82) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL8811661 0.78 LMNA (0.59) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL1969399 0.78 LMNA (0.51) 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 22 patents — showing the first 20. 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-20050020628-A1 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2005-01-27 — — 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-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-5581011-A Aromatic ketones and processes for their preparation ALBANY MOLECULAR RESEARCH, INC. (US) 1996-12-03 — — 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 HRH1 27/4885KCNH2 204/4885LMNA 4133/4885
US-20060241303-A1 Piperidine derivatives and process for their production HRH4, DRD4, H1-4 HRH1 12/4885KCNH2 178/4885LMNA 4248/4885
US-20060052610-A1 Piperidine derivatives and process for their production HRH4, DRD4, H1-4 HRH1 12/4885KCNH2 178/4885LMNA 4248/4885
US-20080227983-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION HRH4, DRD4, H1-4 HRH1 11/4885KCNH2 158/4885LMNA 4278/4885
US-20050020628-A1 Piperidine derivatives and process for their production DRD4, HRH4, H1-4 HRH1 11/4885KCNH2 196/4885LMNA 4276/4885

“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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