SCHEMBL2422906

SCHEMBL2422906

CC[Si](CC)(CC)OC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HSD11B1 P28845 2/20 0.39
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC9A1 P19634 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 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
SCHEMBL2421406 0.88 CYP3A4 (0.40) CYP3A4CYP2C9SLC9A1CYP2C19EPHX2
SCHEMBL2422722 0.84 GAA (0.36) CYP2D6EPHX2L3MBTL1
SCHEMBL12283968 0.81 SMN1; SMN2 (0.43) ALDH1A1HSD11B1HPGDPOLBPKM
SCHEMBL15579719 0.79 HPGD (0.42) ALDH1A1HSD11B1HPGDPOLBPKM
SCHEMBL2420378 0.75 DPP4 (0.38) ALDH1A1HTTKMT2ASMN1; SMN2EPHX2
SCHEMBL2421500 0.74 SMN1; SMN2 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19HTT
SCHEMBL2423916 0.72 SLC6A2 (0.31)
SCHEMBL572974 0.71 DPP4 (0.33) MGLL
SCHEMBL2428114 0.71 HPGD (0.47) ALDH1A1HSD11B1HPGDPOLBPKM
SCHEMBL12283718 0.70 EPHX2 (0.41) CYP3A4CYP2C9SLC9A1CYP2C19EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 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-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 ALDH1A1 1689/4885HSD11B1 883/4885HPGD 152/4885

“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.