SCHEMBL5774298

SCHEMBL5774298

O=C(N(CCCc1cnoc1-c1ccc(F)cc1)CCCN1CCOCC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CD274 Q9NZQ7 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 4/20 0.40
CNR2 P34972 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
PLA2G7 Q13093 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ATM Q13315 2/20 0.39
MAPK14 Q16539 2/20 0.39
TACR2 P21452 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 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
SCHEMBL5777116 0.96 CD274 (0.41) TSHRCD274LMNAKDM4ECNR2
SCHEMBL5773350 0.91 TSHR (0.40) TSHRLMNACNR2USP2PLA2G7
SCHEMBL5773778 0.89 PLA2G7 (0.36) TSHRKDM4ECNR2PLA2G7ALDH1A1
SCHEMBL5775676 0.88 PLA2G7 (0.37) TSHRCNR2PLA2G7ALDH1A1
SCHEMBL5777440 0.81 HDAC8 (0.35) KDM4EPLA2G7SMN1; SMN2
SCHEMBL5773426 0.81 ACHE (0.41) TSHRLMNAKDM4EUSP2ALDH1A1
SCHEMBL5773637 0.81 CYP19A1 (0.44) ALOX15
SCHEMBL5775799 0.79 HDAC8 (0.34) PLA2G7
SCHEMBL5773577 0.79 NAMPT (0.35) MAPK14
Trifluoroacetic Acid SCHEMBL5774292 0.79 TSHR (0.50) TSHRCD274LMNAKDM4EMAPK1

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
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR TSHR 534/4885CD274 4774/4885LMNA 2770/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TSHR 583/4885CD274 4739/4885LMNA 2605/4885

“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.