SCHEMBL21499012

SCHEMBL21499012

CC(C)(C)CN1CCC2(CC1)CNC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2695825 0.86 TSHR (0.54) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL26455588 0.84 CYP2D6 (0.37) TSHRCYP2D6
SCHEMBL31042696 0.84 TSHR (0.40) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24842172 0.82 CYP2D6 (0.36) TSHRCYP2D6
SCHEMBL29320463 0.82 TSHR (0.41) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10201616 0.82 TSHR (0.46) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22752339 0.80 TSHR (0.65) TSHRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13656164 0.78 CYP2D6 (0.34) CYP2D6
SCHEMBL26455582 0.78 TSHR (0.36) TSHRCYP2D6
SCHEMBL21499005 0.78 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288931-B1 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2019-11-06 EP disclosed
US-10450316-B2 Certain protein kinase inhibitor Chongqing Fochon Pharmaceutical Co., Ltd. (CN) 2019-10-22 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-10450316-B2 Certain protein kinase inhibitor CDK4, CDK6, CDK2 TSHR 2868/4885CYP3A4 3365/4885CYP2D6 1922/4885

“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.