SCHEMBL631227

SCHEMBL631227

CCNCc1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.58
SLC6A4 P31645 1/20 0.54
LMNA P02545 1/20 0.52
SCN8A Q9UQD0 1/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RIPK1 Q13546 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL29326871 0.90 MPO (0.49) MPOSLC6A4LMNASCN8AGAA
SCHEMBL6071681 0.86 MPO (0.60) MPOSLC6A4LMNASCN8AGAA
SCHEMBL21674321 0.83 MPO (0.59) MPOSLC6A4LMNASCN8ATAAR1
SCHEMBL13975772 0.80 MPO (0.61) MPOSLC6A4SCN8ATAAR1KMT2A
SCHEMBL18405175 0.79 SCN8A (0.58) MPOSLC6A4LMNASCN8AGAA
SCHEMBL17033966 0.79 TAAR1 (0.66) MPOTAAR1KMT2AMEN1HPGD
SCHEMBL20905865 0.78 MPO (0.58) MPOSLC6A4LMNASCN8AGAA
SCHEMBL23613102 0.78 L3MBTL1 (0.57) MPOSLC6A4LMNASCN8AGAA
SCHEMBL20905599 0.78 SCN8A (0.49) MPOSLC6A4LMNASCN8AGAA
SCHEMBL172639 0.78 MPO (0.49) MPOSLC6A4LMNASCN8AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
EP-4735441-A1 PYRROLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF MENTAL ILLNESSES Psylo Pty Ltd (AU) 2026-05-06 EP disclosed
WO-2025000051-A1 PYRROLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF MENTAL ILLNESSES Psylo Pty Ltd (AU) 2025-01-02 WO disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11180492-B2 Anti-parasitic compounds and uses thereof UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-11-23 US disclosed
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
WO-2019179515-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2019-09-26 WO disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000790-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
WO-2004000294-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 WO disclosed
WO-2004000295-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 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 (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-11180492-B2 Anti-parasitic compounds and uses thereof MPO, GOT2, GOT1 MPO 1/4885SLC6A4 2939/4885LMNA 554/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 MPO 649/4885SLC6A4 1993/4885LMNA 2634/4885
US-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MPO 34/4885SLC6A4 1766/4885LMNA 4696/4885
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 MPO 4478/4885SLC6A4 884/4885LMNA 4605/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MPO 34/4885SLC6A4 1766/4885LMNA 4696/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM MPO 1591/4885SLC6A4 2681/4885LMNA 1332/4885

“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.