SCHEMBL3677140

SCHEMBL3677140

O=C(Cl)OCC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
PARP15 Q460N3 3/20 0.38
PARP10 Q53GL7 3/20 0.38
TP53 P04637 2/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
EPHX1 P07099 2/20 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
SCHEMBL2937173 0.98 LMNA (0.55) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL11751290 0.98 LMNA (0.55) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL2590590 0.95
SCHEMBL2265196 0.90 LMNA (0.41) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL2966870 0.90
SCHEMBL1672623 0.80 LMNA (0.55) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL1669840 0.78 LMNA (0.59) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL8396781 0.78 LMNA (0.53) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL4463734 0.78 LMNA (0.59) LMNASLC1A3SLC1A2SLC1A1PARP15
SCHEMBL29063243 0.77 SCN9A (0.36) LMNASLC1A3SLC1A2SLC1A1

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
CN-118930552-A Isobenzofuran-1 (3H) -one compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-11-12 CN disclosed
CN-108779096-B Fluorine-substituted cyclopropylamine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-07-01 CN disclosed
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-17 US disclosed
US-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-04 US disclosed
EP-3431471-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USERS THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-01-23 EP disclosed
CN-108779096-A A kind of fluorine-substituted cyclopropylamine class compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2018-11-09 CN disclosed
CN-107200706-A Cyclopropylamine class compound of one class fluorine substitution and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2017-09-26 CN disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
EP-1472230-B1 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES CONFORMA THERAPEUTICS CORP (US) 2009-06-17 EP disclosed
US-7465718-B2 Ansamycins having improved pharmacological and biological properties CONFORMA THERAPEUTICS CORPORATION (US) 2008-12-16 US disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20050267122-A1 Ansamycins having improved pharmacological and biological properties Zhang, Lin 2005-12-01 US disclosed
EP-1472230-A4 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES CONFORMA THERAPEUTIC CORP (US) 2005-07-06 EP disclosed
EP-1472230-A2 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES Conforma Therapeutic Corporation (US) 2004-11-03 EP disclosed
WO-2003066005-A2 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES CONFORMA THERAPEUTICS CORPORATION (US) 2003-08-14 WO disclosed
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
US-4591583-A TREATING VIRAL INFECTIONS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1986-05-27 US disclosed
US-4386081-A VIRICIDE ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1983-05-31 US disclosed
EP-0003007-B1 ALIPHATIC DERIVATIVES OF PHOSPHONOFORMIC ACID, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR COMBATING VIRUS INFECTIONS Astra Läkemedel Aktiebolag (SE) 1982-04-07 EP disclosed
EP-0003007-A2 Aliphatic derivatives of phosphonoformic acid, pharmaceutical compositions and methods for combating virus infections Astra Läkemedel Aktiebolag (SE) 1979-07-11 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-20050267122-A1 Ansamycins having improved pharmacological and biological properties NARS1, AAAS, ASNS LMNA 474/4885SLC1A3 4113/4885SLC1A2 4064/4885
US-20190100507-A1 FLUORINATED CYCLOPROPYLAMINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF SETDB1, KDM1B, SETD7 LMNA 3149/4885SLC1A3 1177/4885SLC1A2 1289/4885
US-10836743-B2 Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof SETDB1, KDM1B, SETD7 LMNA 3149/4885SLC1A3 1177/4885SLC1A2 1289/4885

“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.