SCHEMBL5773350

SCHEMBL5773350

CN1CCN(CCCN(CCCc2cnoc2-c2ccc(F)cc2)C(=O)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
SLC2A1 P11166 3/20 0.39
CYP3A4 P08684 1/20 0.38
PLA2G7 Q13093 1/20 0.38
CXCR1 P25024 2/20 0.38
SIGMAR1 Q99720 1/20 0.36
USP2 O75604 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MPO P05164 1/20 0.35
LMNA P02545 2/20 0.34
CNR2 P34972 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL5774298 0.91 TSHR (0.42) TSHRPLA2G7USP2ALDH1A1HPGD
SCHEMBL5773778 0.89 PLA2G7 (0.36) TSHRCYP3A4PLA2G7SIGMAR1ALDH1A1
SCHEMBL5775676 0.88 PLA2G7 (0.37) TSHRCYP3A4PLA2G7SIGMAR1ALDH1A1
SCHEMBL5777116 0.87 CD274 (0.41) TSHRPLA2G7USP2ALDH1A1HPGD
SCHEMBL5777440 0.83 HDAC8 (0.35) CYP3A4PLA2G7
SCHEMBL5773426 0.83 ACHE (0.41) TSHRSLC2A1CYP3A4USP2ALDH1A1
SCHEMBL5774897 0.82 MPO (0.35) CYP3A4PLA2G7ALDH1A1MPOLMNA
SCHEMBL5775799 0.81 HDAC8 (0.34) PLA2G7
SCHEMBL5773637 0.81 CYP19A1 (0.44)
SCHEMBL5777281 0.80 HDAC8 (0.34) CYP3A4ALDH1A1HPGD

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 534/4885SLC2A1 96/4885CYP3A4 39/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TSHR 583/4885SLC2A1 47/4885CYP3A4 76/4885

“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.