SCHEMBL21209217

SCHEMBL21209217

CC(C)c1c[nH]c(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHR2 Q13324 1/20 0.38
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL7992596 0.84
SCHEMBL3700043 0.81
SCHEMBL3708727 0.75
SCHEMBL20289379 0.72 CYP17A1 (0.37) CYP3A4CYP2C19
SCHEMBL21539558 0.72
SCHEMBL9971053 0.71
SCHEMBL14446900 0.71 MAPT (0.36) TSHRKDM4EPOLBMAPTHPGD
SCHEMBL14857285 0.69
SCHEMBL2161282 0.69 NPSR1 (0.33)
SCHEMBL935220 0.69

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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 US disclosed
US-10793563-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RES INST (TW) 2020-03-05 US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 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 (5 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-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP3A4 3536/4885CYP2D6 2931/4885TSHR 4808/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP3A4 3536/4885CYP2D6 2931/4885TSHR 4808/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP3A4 3536/4885CYP2D6 2931/4885TSHR 4808/4885
US-20200071312-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE GLUL, GLS2, GLS CYP3A4 1926/4885CYP2D6 2066/4885TSHR 4583/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR CYP3A4 3536/4885CYP2D6 2931/4885TSHR 4808/4885

“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.