SCHEMBL20001952

SCHEMBL20001952

CC1(C(O)c2cc(F)cc3cn[nH]c23)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.33
TDO2 P48775 8/20 0.33
MET P08581 3/20 0.31
BRD4 O60885 2/20 0.31
CREBBP Q92793 2/20 0.31
DPP4 P27487 1/20 0.30
PITRM1 Q5JRX3 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL20001912 0.87 IDO1 (0.36) IDO1TDO2
SCHEMBL20002290 0.86 IDO1 (0.37) IDO1TDO2
SCHEMBL20042244 0.86 TDO2 (0.37) IDO1TDO2
SCHEMBL20001920 0.85 IDO1 (0.36) IDO1TDO2
SCHEMBL20002410 0.84 TDO2 (0.38) IDO1TDO2
SCHEMBL20002525 0.84 IDO1 (0.32) IDO1TDO2
SCHEMBL20002521 0.82 TDO2 (0.38) TDO2
SCHEMBL20042256 0.78 IDO1 (0.31) IDO1TDO2
SCHEMBL20002552 0.78 IDO1 (0.31) IDO1TDO2
SCHEMBL20002547 0.76 TDO2 (0.34) TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 IDO1 1/4885TDO2 2/4885MET 2612/4885

“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.