SCHEMBL21148

SCHEMBL21148

O=C(O)[C@H]1C[C@H]2CCC[C@H]2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CTSC P53634 3/20 0.36
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ SLC1A1 P43005 2/20 0.33
▸ SLC1A3 P43003 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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
SCHEMBL1996806 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL7978226 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL9359626 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL1814002 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL10795076 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL497178 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL24866537 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL9587111 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL10348708 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2
SCHEMBL436440 1.00 CYP2D6 (0.52) CYP2D6LMNABLMALOX15CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234493-A1 Process for the Preparation of 2-[N-[{S)-1-Ethoxycarbonyl-3-Phenylpropyl]-(S)-Alanyl]-(1S,3S,5S)-2-Azabicyclo[3.3.0]Oct- an-3-Carboxylic Acid INSTYTUT FARMACEUTYCZNY (PL) 2008-09-25 — — US claimed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 — — US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 — — EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 — — US disclosed
US-20080234493-A1 Process for the Preparation of 2-[N-[{S)-1-Ethoxycarbonyl-3-Phenylpropyl]-(S)-Alanyl]-(1S,3S,5S)-2-Azabicyclo[3.3.0]Oct- an-3-Carboxylic Acid INSTYTUT FARMACEUTYCZNY (PL) 2008-09-25 — — US disclosed
US-20080234493-A1 Process for the Preparation of 2-[N-[{S)-1-Ethoxycarbonyl-3-Phenylpropyl]-(S)-Alanyl]-(1S,3S,5S)-2-Azabicyclo[3.3.0]Oct- an-3-Carboxylic Acid INSTYTUT FARMACEUTYCZNY (PL) 2008-09-25 — — US disclosed
US-20080234493-A1 Process for the Preparation of 2-[N-[{S)-1-Ethoxycarbonyl-3-Phenylpropyl]-(S)-Alanyl]-(1S,3S,5S)-2-Azabicyclo[3.3.0]Oct- an-3-Carboxylic Acid INSTYTUT FARMACEUTYCZNY (PL) 2008-09-25 — — US disclosed
US-20080234493-A1 Process for the Preparation of 2-[N-[{S)-1-Ethoxycarbonyl-3-Phenylpropyl]-(S)-Alanyl]-(1S,3S,5S)-2-Azabicyclo[3.3.0]Oct- an-3-Carboxylic Acid INSTYTUT FARMACEUTYCZNY (PL) 2008-09-25 — — US disclosed
US-5101039-A Carboxyindoles, hypotensive agents, inhibitors of angiotensin converting enzyme HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 — — US disclosed
US-5008400-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-16 — — US disclosed
US-4933361-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 — — US disclosed
EP-0338508-A2 Esters from amino-acids, their preparation process, drugs containing same and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-25 — — EP disclosed
EP-0084164-B1 DERIVATIVES OF BICYCLIC AMINO ACIDS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE, AS WELL AS BICYCLIC AMINO ACIDS AS INTERMEDIATES, AND PROCESS FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-28 — — EP 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 CYP2D6 1354/4885LMNA 1893/4885BLM 2764/4885
US-20080234493-A1 Process for the Preparation of 2-[N-[{S)-1-Ethoxycarbonyl-3-Phenylpropyl]-(S)-Alanyl]-(1S,3S,5S)-2-Azabicyclo[3.3.0]Oct- an-3-Carboxylic Acid ADRB1, ADRA1A, ADRA2C CYP2D6 85/4885LMNA 122/4885BLM 4677/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 CYP2D6 1700/4885LMNA 1955/4885BLM 2772/4885

“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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