SCHEMBL1929948

SCHEMBL1929948

CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.40
KCNH2 Q12809 2/20 0.38
CHRNA7 P36544 1/20 0.38
DPP4 P27487 3/20 0.37
FAP Q12884 1/20 0.37
HTR2B P41595 1/20 0.37
USP30 Q70CQ3 2/20 0.37
KIF11 P52732 1/20 0.37
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
SLC6A7 Q99884 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL16456842 1.00 DGAT1 (0.40) DGAT1KCNH2CHRNA7DPP4FAP
SCHEMBL3223565 0.85 DGAT1 (0.40) DGAT1KCNH2CHRNA7HTR2BUSP30
SCHEMBL2227305 0.84 DGAT1 (0.35) DGAT1KCNH2CHRNA7DPP4FAP
SCHEMBL1550240 0.82 HIF1A (0.36) DGAT1KCNH2CHRNA7HTR2BUSP30
SCHEMBL12553013 0.78 CASP1 (0.40)
SCHEMBL1550050 0.76 CYP51A1 (0.40) HTR2B
SCHEMBL1549976 0.76 CYP51A1 (0.40) HTR2B
SCHEMBL19856859 0.76 CYP51A1 (0.40) HTR2B
SCHEMBL14964578 0.76 PDK2 (0.38) DGAT1HTR2BSLC6A7PDE10A
SCHEMBL16457374 0.76 PDE10A (0.35) DGAT1HTR2BSLC6A7PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110130400-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO 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-20110130400-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV1 DGAT1 1743/4885KCNH2 179/4885CHRNA7 847/4885

“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.