SCHEMBL2817646

SCHEMBL2817646

O=c1[nH]cccc1-c1[nH]c2ccccc2c1C1CCN(Cc2cccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.55
OPRK1 P41145 3/20 0.55
HTR2A P28223 4/20 0.49
ACHE P22303 1/20 0.47
OPRL1 P41146 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 2/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
ESR1 P03372 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.39

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
SCHEMBL537317 0.85 HTR2A (0.68) OPRM1OPRK1HTR2AACHEOPRL1
SCHEMBL13145308 0.85 HTR2A (0.45) OPRM1OPRK1HTR2AACHEOPRL1
SCHEMBL537460 0.76 HTR2A (0.60) HTR2AMEN1KMT2ADRD2HTR2C
SCHEMBL13172552 0.75 HTR2A (0.46) HTR2ADRD2HTR2CKCNH2
SCHEMBL13134073 0.74 HTR2A (0.45) HTR2AACHEMEN1KMT2ADRD2
SCHEMBL537249 0.74 HTR2A (0.45) HTR2AKMT2ADRD2HTR2CKCNH2
SCHEMBL7958107 0.72 HTR2A (0.73) OPRM1OPRK1HTR2ADRD2HTR2C
SCHEMBL14280680 0.71 OPRM1 (1.00) OPRM1OPRK1HTR2AACHEOPRL1
SCHEMBL13172803 0.69 ACHE (0.46) OPRM1OPRK1HTR2AACHEOPRL1
SCHEMBL8934886 0.68 ROCK1 (0.56) OPRM1OPRK1ACHEOPRL1

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-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 (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-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS MKI67, CCNI, CDK4 OPRM1 2788/4885OPRK1 1322/4885HTR2A 177/4885

“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.