SCHEMBL16043709

SCHEMBL16043709

CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1CN

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.40
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ DPP4 P27487 6/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PEPD P12955 1/20 0.34
▸ XPNPEP1 Q9NQW7 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SRC P12931 1/20 0.34

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
SCHEMBL29163844 1.00 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL15057262 1.00 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL15056773 1.00 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL28731364 1.00 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL18561053 0.88 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL31420607 0.88 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL31420863 0.88 NR1H2 (0.38) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL10215607 0.87 CHRM2 (0.39) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL2542677 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3DPP4
SCHEMBL15270709 0.86 NR1H2 (0.48) NR1H2CHRM2CHRM1CHRM3DPP4

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
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 — — US disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — 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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 NR1H2 2065/4885CHRM2 1757/4885CHRM1 2192/4885

“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.

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