SCHEMBL2987129

SCHEMBL2987129

CCC1C(=O)Nc2c(C)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PGR P06401 1/20 0.43
CREBBP Q92793 1/20 0.40
DAO P14920 1/20 0.40
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
HSD11B1 P28845 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
IDO1 P14902 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL17066928 0.83 MEN1 (0.44) ALDH1A1MEN1KMT2APGRCREBBP
SCHEMBL23835719 0.81 PGR (0.52) ALDH1A1MEN1KMT2APGRDAO
SCHEMBL24112725 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APGRCREBBP
SCHEMBL24112230 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APGRCREBBP
SCHEMBL17066904 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APGRCRBN
SCHEMBL23501955 0.75 PGR (0.33) ALDH1A1MEN1KMT2APGRCREBBP
SCHEMBL2693278 0.73 IDO1 (0.64) ALDH1A1PGRCREBBPMAPTIDO1
SCHEMBL11368672 0.72 DAO (0.40) ALDH1A1MEN1KMT2ACREBBPDAO
SCHEMBL24019657 0.72 TP53 (0.40) ALDH1A1MEN1KMT2ACREBBPDAO
SCHEMBL24029075 0.72 TP53 (0.40) ALDH1A1MEN1KMT2ACREBBPDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-7786129-B2 Piperazine derivatives of dialkyl oxindoles EGIS GYOGYSZERGYAR NYRT (HU) 2010-08-31 US disclosed
US-20090281137-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS VOLK BALAZS 2009-11-12 US disclosed
EP-1776339-B1 3-(((4-PHENYL)-PIPERAZIN-1-YL)-ALKYL)-3-ALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR NYRT (HU) 2009-07-01 EP disclosed
EP-1751138-B9 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS EGIS GYOGYSZERGYAR NYRT (HU) 2008-11-12 EP disclosed
EP-1751138-B1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS EGIS GYOGYSZERGYAR NYRT (HU) 2007-12-26 EP disclosed
US-20070232662-A1 Indol-2-One Derivatives for the Treatment of Central Nervous Disorders, Gastrointestinal Disorders and Cardiovascular Disorders EGIS GYOGYSZERGYAR RT. (HU) 2007-10-04 US disclosed
US-20070232619-A1 Piperazine Derivatives of Dialkyl Oxindoles EGIS GYOGYSZERGYAR RT. (HU) 2007-10-04 US disclosed
EP-1776339-A2 3-(((4-PHENYL)-PIPERAZIN-1-YL)-ALKYL)-3-ALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS EGIS Gyógyszergyár Nyrt (HU) 2007-04-25 EP disclosed
WO-2005109987-A9 3-(((4-PHENYL)-PIPERAZINE-1-YL)-ALKYL)-3-ALKYL-1, 3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR NYRT (HU) 2007-03-29 WO disclosed
EP-1751138-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
WO-2005109987-A2 3-(((4-PHENYL)-PIPERAZINE-1-YL)-ALKYL)-3-ALKYL-1, 3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-24 WO disclosed
WO-2005108390-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 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 (4 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-20070232619-A1 Piperazine Derivatives of Dialkyl Oxindoles TPH2, DRD3, CNR2 ALDH1A1 462/4885MEN1 2425/4885KMT2A 2483/4885
US-20070232662-A1 Indol-2-One Derivatives for the Treatment of Central Nervous Disorders, Gastrointestinal Disorders and Cardiovascular Disorders TPH2, TPH1, IDO1 ALDH1A1 659/4885MEN1 1071/4885KMT2A 2428/4885
US-20090281137-A1 INDOL-2-ONE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS, GASTROINTESTINAL DISORDERS AND CARDIOVASCULAR DISORDERS TPH2, TPH1, IDO1 ALDH1A1 649/4885MEN1 961/4885KMT2A 2376/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ALDH1A1 1863/4885MEN1 4306/4885KMT2A 3383/4885

“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.