SCHEMBL2980645

SCHEMBL2980645

CC1(CCCCCl)C(=O)Nc2c(Cl)cc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.41
AKR1B1 P15121 1/20 0.40
KMT2A Q03164 1/20 0.38
PDE7A Q13946 1/20 0.37
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
GHSR Q92847 1/20 0.34
CES1 P23141 1/20 0.34
DNMT1 P26358 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 3/20 0.31

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
SCHEMBL2692066 0.81 HTR7 (0.60) HTR7AKR1B1HTR6
SCHEMBL2978181 0.68 HTR7 (0.60) HTR7HTR6
SCHEMBL11642237 0.63 PDE7A (0.56) HTR7AKR1B1KMT2APDE7AIDO1
SCHEMBL2976437 0.61 HTR7 (0.64) HTR7HTR6
SCHEMBL25066039 0.61 IDO1 (0.43) HTR7AKR1B1KMT2APDE7AALDH1A1
SCHEMBL31116967 0.61 PDK2 (0.39) KMT2AALDH1A1IDO1TDO2MAPT
SCHEMBL25316912 0.61 PDE7A (0.47) HTR7AKR1B1KMT2APDE7AALDH1A1
SCHEMBL31584751 0.61 PGR (0.44) AKR1B1KMT2ACES1HTR6
SCHEMBL31116993 0.61 PDK2 (0.38) AKR1B1PDE7AALDH1A1IDO1MAPT
SCHEMBL6219539 0.58 RARB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786129-B2 Piperazine derivatives of dialkyl oxindoles EGIS GYOGYSZERGYAR NYRT (HU) 2010-08-31 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTR7 35/4885AKR1B1 700/4885KMT2A 2483/4885

“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.