SCHEMBL14095477

SCHEMBL14095477

COC(=O)[C@@H](NCCN(C(=O)OC(C)(C)C)C1CCCC1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
EPHX1 P07099 1/20 0.32
DPP4 P27487 1/20 0.32
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3247076 0.82 CA14 (0.34) EPHX1DPP4CA12CA14
SCHEMBL8170736 0.77 TSHR (0.55) TSHRCA12CA14MAPTHSD17B10
SCHEMBL13494079 0.75 ADH1A (0.41) TSHREPHX1CA12CA14
SCHEMBL13055387 0.75 EPHX1 (0.53) TSHREPHX1CA12CA14
SCHEMBL6486048 0.74 BTK (0.37) EPHX1
SCHEMBL10323856 0.73 CA14 (0.34) EPHX1DPP4CA14
SCHEMBL9200042 0.72 KDM5A (0.38) EPHX1
SCHEMBL1067463 0.72 EPHX1 (0.36) EPHX1DPP4CA14
SCHEMBL21816632 0.72 CA14 (0.36) EPHX1DPP4CA12CA14
SCHEMBL27623896 0.72 DPP4 (0.36) EPHX1DPP4

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-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-08-28 US disclosed
US-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-08-28 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-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline GLS2, SLC10A1, UGT1A1 TSHR 3275/4885EPHX1 1321/4885DPP4 456/4885

“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.