SCHEMBL5771670

SCHEMBL5771670

O=C(O)N[C@H]1CCN(C(=O)CCc2cnoc2-c2cccc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.42
ENPP2 Q13822 1/20 0.42
LMNA P02545 2/20 0.40
C3AR1 Q16581 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GRM5 P41594 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TACR1 P25103 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL5774144 0.90 ENPP2 (0.42) KDM5BENPP2LMNAC3AR1TRPV1
SCHEMBL5773832 0.84 SMN1; SMN2 (0.41) ENPP2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5775415 0.79 ENPP2 (0.40) ENPP2C3AR1
SCHEMBL5773615 0.76 RXRA (0.56) TSHR
SCHEMBL5772098 0.74 KDM4E (0.38) KDM5BENPP2LMNAC3AR1TRPV1
SCHEMBL5770782 0.73 ENPP2 (0.36) KDM5BENPP2C3AR1TRPV1EPHX2
SCHEMBL5772977 0.72 VEGFA (0.43)
SCHEMBL5773845 0.71 TNKS (0.40) ENPP2LMNATRPV1SMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL5773443 0.68 LMNA (0.41) LMNAHTTNPC1RAB9A
SCHEMBL3542759 0.68 SCD5 (0.54) RAB9AGRM5HCRTR1HCRTR2

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 KDM5B 4191/4885ENPP2 3244/4885LMNA 2770/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KDM5B 3539/4885ENPP2 3032/4885LMNA 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.