SCHEMBL10248055

SCHEMBL10248055

CC(C)CCCC1C(=O)Nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.60
HTR7 P34969 7/20 0.50
TDO2 P48775 3/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GSK3B P49841 2/20 0.48
DRD2 P14416 2/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR6 P50406 1/20 0.46
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL16264954 0.83 IDO1 (0.66) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL5814656 0.81 IDO1 (0.64) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL2983658 0.81 IDO1 (0.61) IDO1TDO2MAPTKDM4EGAA
SCHEMBL10851169 0.80 IDO1 (0.62) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL319056 0.80 IDO1 (0.66) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL7041168 0.79 IDO1 (0.70) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL1456203 0.78 IDO1 (0.64) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL8998981 0.76 EGFR (0.72) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL397709 0.76 IDO1 (0.70) IDO1HTR7TDO2MAPTKDM4E
SCHEMBL2006791 0.76 IDO1 (1.00) IDO1HTR7TDO2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US 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 (2 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 IDO1 644/4885HTR7 171/4885TDO2 622/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 IDO1 644/4885HTR7 171/4885TDO2 622/4885

“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.