SCHEMBL609161

SCHEMBL609161

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(C#N)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
CHRM2 P08172 1/20 0.41
RET P07949 9/20 0.40
NTRK1 P04629 3/20 0.40
DPP4 P27487 2/20 0.38
KDM4D Q6B0I6 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL470735 0.89 NTRK1 (0.42) RETNTRK1DPP4KDM4DRORC
SCHEMBL457722 0.88 NTRK1 (0.41) RETNTRK1DPP4
SCHEMBL610961 0.88 NTRK1 (0.41) RETNTRK1DPP4RORC
SCHEMBL458712 0.88 NTRK1 (0.41) RETNTRK1DPP4RORC
SCHEMBL457724 0.88 NTRK1 (0.41) RETNTRK1DPP4
SCHEMBL470570 0.88 NTRK1 (0.43) RETNTRK1DPP4RORC
SCHEMBL6128115 0.88 NTRK1 (0.41) RETNTRK1DPP4RORC
SCHEMBL14722979 0.88 NTRK1 (0.41) RETNTRK1DPP4RORC
SCHEMBL459231 0.88 JAK3 (0.39) AAK1RETNTRK1DPP4KDM4D
SCHEMBL14723522 0.87 NR1H2 (0.42) RETNTRK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 AAK1 1673/4885CHRM2 740/4885RET 1439/4885

“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.