SCHEMBL2605809

SCHEMBL2605809

O=C(O)CC1CNc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
CCKBR P32239 2/20 0.44
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL3964364 1.00 EGFR (0.47) EGFRCCKBRTP53L3MBTL1GLA
SCHEMBL3958089 1.00 EGFR (0.47) EGFRCCKBRTP53L3MBTL1GLA
SCHEMBL9910178 0.87 CCKBR (0.42) EGFRCCKBRALDH1A1
SCHEMBL13298503 0.85 MTNR1A (0.41) EGFRCCKBR
SCHEMBL5635451 0.85 HSD17B10 (0.43) EGFRCCKBRHSD17B10ALDH1A1
SCHEMBL17072375 0.84 CCKBR (0.41) EGFRCCKBRALDH1A1
SCHEMBL6890519 0.83 EGFR (0.50) EGFRCCKBR
SCHEMBL8367985 0.83 EGFR (0.45) EGFRCCKBRTP53L3MBTL1GLA
SCHEMBL10820393 0.82 CCKBR (0.39) CCKBR
SCHEMBL28369724 0.82 SMN1; SMN2 (0.50) TP53HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116794202-A Screening and application of metabolic markers of rifampicin drug-resistant tuberculosis 首都医科大学附属北京胸科医院 2023-09-22 CN disclosed
CN-103044310-B Indoline-3-acetic acid derivative and preparation method thereof as well as application of derivative in medicine UNIV GUIYANG MEDICAL 2015-02-04 CN disclosed
CN-103044310-B Indoline-3-acetic acid derivative and preparation method thereof as well as application of derivative in medicine UNIV GUIYANG MEDICAL 2015-02-04 CN disclosed
CN-103044310-A Indoline-3-acetic acid derivative and preparation method thereof as well as application of derivative in medicine UNIV GUIYANG MEDICAL 2013-04-17 CN disclosed
CN-103044310-A Indoline-3-acetic acid derivative and preparation method thereof as well as application of derivative in medicine UNIV GUIYANG MEDICAL 2013-04-17 CN disclosed
US-20120101164-A1 ABSCISSION AND CROP STORAGE UNIT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-26 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 WO disclosed
CN-101687789-A Novel inhibitors hepatitis c virus replication INTERMUNE INC 2010-03-31 CN disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
WO-2009126782-A1 HISTAMINE H3 RECEPTOR LIGANDS HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-15 WO disclosed
US-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008109179-A1 METALLOPROTEASE INHIBITORS CONTAINING A SQUARAMIDE MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 WO disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 US disclosed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A EGFR 2385/4885CCKBR 162/4885TP53 4563/4885
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS EGFR 913/4885CCKBR 1135/4885TP53 611/4885
US-20120101164-A1 ABSCISSION AND CROP STORAGE UNIT BROX, ACR, ABAT EGFR 4831/4885CCKBR 3955/4885TP53 335/4885

“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.