SCHEMBL19867149

SCHEMBL19867149

CC(C)(C)N1CCO[C@H](Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRM2 Q14416 1/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL19867147 1.00 DRD4 (0.43) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13551809 1.00 DRD4 (0.43) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22623916 0.88 DRD4 (0.42) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1943731 0.82 DRD4 (0.44) DRD4EPHX2HRH3
SCHEMBL25947642 0.80 DRD4 (0.47) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9228792 0.80 SLC6A2 (0.50) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19075582 0.79 DRD4 (0.37) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9641488 0.78 HRH3 (0.64) DRD4DRD2DRD3EPHX2HRH3
Hydrochloric Acid SCHEMBL10981595 0.78 SLC6A2 (0.49) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9640901 0.77 HRH3 (0.62) DRD4DRD2DRD3EPHX2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE ATHENEX, INC. 2021-07-01 US disclosed
US-10973828-B2 Biaryl compositions and methods for modulating a kinase cascade ATHENEX, INC. (US) 2021-04-13 US disclosed
US-20190125754-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2019-05-02 US disclosed
US-20180042934-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE OAKTREE FUND ADMINISTRATION, LLC 2018-02-15 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 (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-20180042934-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 DRD4 4712/4885CYP1A2 3857/4885CYP3A4 4125/4885
US-20190125754-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 DRD4 4712/4885CYP1A2 3857/4885CYP3A4 4125/4885
US-10973828-B2 Biaryl compositions and methods for modulating a kinase cascade PLK1, MAP3K2, TNK2 DRD4 4712/4885CYP1A2 3857/4885CYP3A4 4125/4885
US-20210196724-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE PLK1, MAP3K2, TNK2 DRD4 4712/4885CYP1A2 3857/4885CYP3A4 4125/4885

“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.