SCHEMBL501299

SCHEMBL501299

O=C(O)C1NCC2CCCC21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 1/20 0.48
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
ARG1 P05089 2/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL13447407 1.00 PKM (0.61) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL2365101 1.00 PKM (0.61) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL10756908 1.00 PKM (0.61) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL2412292 1.00 PKM (0.61) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL15184252 1.00 PKM (0.61) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL15676663 1.00 PKM (0.61) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL15613797 1.00 PKM (0.61) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
Bromide SCHEMBL16277469 0.98 PKM (0.59) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL500436 0.98 PKM (0.59) PKMSLC1A2SLC1A1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28965093 0.98 PKM (0.59) PKMSLC1A2SLC1A1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107318-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-17 US claimed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US claimed
US-20130172276-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-04 US claimed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US claimed
CN-102639499-A Processes and intermediates VERTEX PHARMA INC 2012-08-15 CN claimed
EP-2477966-A1 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Incorporated (US) 2012-07-25 EP claimed
WO-2010126881-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 WO claimed
US-20100174077-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 US claimed
EP-1934179-B1 PROCESSES AND INTERMEDIATES VERTEX PHARMA (US) 2010-04-07 EP claimed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US claimed
EP-1934179-A2 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Incorporated (US) 2008-06-25 EP claimed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US claimed
WO-2007022459-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO claimed
CN-115960088-B Novel coronavirus main protease inhibitor and preparation method and application thereof 四川大学 2024-07-26 CN disclosed
WO-2024109688-A1 PYRROLE FUSED RING DERIVATIVE AND PHARMACEUTICAL USE THEREOF 成都百裕制药股份有限公司 2024-05-30 WO disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-4822894-A PURE CIS ENANTIOMERS OF FUSED PYRROLE RING CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4691022-A Process for the preparation of monocyclic, bicyclic and tricyclic aminoacids HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-01 US disclosed
US-4668796-A Racemates of optically active bicyclic imino-alpha-carboxylic esters HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
EP-0132580-A1 Process for the preparation of mono, bi and tricyclic aminoacids HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-13 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 (6 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-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 PKM 2061/4885SLC1A2 4819/4885SLC1A1 4678/4885
US-20130172276-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 PKM 2061/4885SLC1A2 4819/4885SLC1A1 4678/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 PKM 2897/4885SLC1A2 4598/4885SLC1A1 3940/4885
US-20100174077-A1 Processes and intermediates TFPI, SPINT2, SERPINB1 PKM 2061/4885SLC1A2 4819/4885SLC1A1 4678/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH PKM 2665/4885SLC1A2 3714/4885SLC1A1 3558/4885
US-20140107318-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 PKM 2061/4885SLC1A2 4819/4885SLC1A1 4678/4885

“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.