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SCHEMBL2014666

SCHEMBL2014666

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1CCO

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA4 P22748 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SIGMAR1 Q99720 3/20 0.47
▸ NR1H2 P55055 2/20 0.47
▸ NR1H3 Q13133 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL4708831 1.00 CA1 (0.56) CA1CA2CA4CA9LMNA
SCHEMBL8229902 1.00 CA1 (0.56) CA1CA2CA4CA9LMNA
SCHEMBL9101358 0.95 CA1 (0.52) CA1CA2CA4CA9LMNA
Piperazine SCHEMBL9028960 0.95 CA1 (0.52) CA1CA2CA4CA9LMNA
Piperazine SCHEMBL9028956 0.95 CA1 (0.52) CA1CA2CA4CA9LMNA
SCHEMBL19878826 0.94 CA1 (0.50) CA1CA2CA4CA9LMNA
SCHEMBL19878828 0.94 CA1 (0.50) CA1CA2CA4CA9LMNA
SCHEMBL8575175 0.93 CA1 (0.49) CA1CA2CA4CA9LMNA
SCHEMBL13705078 0.93 CA1 (0.49) CA1CA2CA4CA9LMNA
SCHEMBL15020095 0.91 NR1H2 (0.47) CA1CA2CA4CA9ALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415336-B2 Cyclic (aza)indolizinecarboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-04-09 — — US disclosed
US-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-13 — — US disclosed
CN-102548993-A Cyclic (aza)indolizinecarboxamides, their preparation and their use as pharmaceuticals SANOFI AVENTIS 2012-07-04 — — CN disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 — — US disclosed
US-7405217-B2 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-07-29 — — US disclosed
EP-1935885-A2 Melanin concentrating hormone receptor ligands : substituted 1-benzyl-4-aryl piperazine analogues. NEUROGEN CORPORATION (US) 2008-06-25 — — EP disclosed
EP-1935885-A2 Melanin concentrating hormone receptor ligands : substituted 1-benzyl-4-aryl piperazine analogues. NEUROGEN CORPORATION (US) 2008-06-25 — — EP disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 — — US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 — — US disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 — — EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 — — WO disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 — — WO disclosed
US-6313109-B2 ANTIPROLIFERATIVE AGENTS; TREATING TUMORS, RESTENOSIS SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2001-11-06 — — US disclosed
US-20010000344-A1 Prenyl transferase inhibitors BIOMEASURE INCORPORATED 2001-04-19 — — US disclosed
US-6180619-B1 TREATING TUMORS OR RESTENOSIS BIOMEASURE, INCORPORATED 2001-01-30 — — US disclosed
US-5929077-A Thioproline-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY 1999-07-27 — — US disclosed
WO-1998020001-A1 THIOPROLINE-CONTAINING INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 — — WO disclosed
US-5736539-A ANITCARCINOGENIC AGENTS MERCK & CO., INC. (US) 1998-04-07 — — US disclosed
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 — — WO disclosed
WO-1995000497-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., 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 (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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CA1 2697/4885CA2 1923/4885CA4 2755/4885
US-20010000344-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 CA1 4614/4885CA2 4548/4885CA4 4080/4885
US-20120232081-A1 CYCLIC (AZA)INDOLIZINECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, ACE, PM20D2 CA1 1984/4885CA2 267/4885CA4 446/4885

“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.