SCHEMBL5771819

SCHEMBL5771819

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCC2CCCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1B Q00975 2/20 0.38
CHRM4 P08173 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
C3AR1 Q16581 1/20 0.36
NPC1 O15118 1/20 0.36
GRIN2B Q13224 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GFER P55789 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
SCHEMBL5771554 0.84 GRIN2B (0.40) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5773468 0.83 LMNA (0.46) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5774738 0.83 LMNA (0.46) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5776036 0.83 LMNA (0.46) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5775462 0.83 HSD11B1 (0.41) RAB9AKDM4ELMNAKMT2ANPC1
SCHEMBL5775704 0.82 LMNA (0.39) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5796302 0.82 KMT2A (0.49) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5799823 0.82 KMT2A (0.55) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5776181 0.81 KDM4E (0.38) RAB9AMAPTKDM4ELMNAKMT2A
SCHEMBL5772098 0.80 KDM4E (0.38) RAB9AMAPTKDM4ELMNAC3AR1

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 RAB9A 3076/4885MAPT 4701/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 RAB9A 3507/4885MAPT 4763/4885KDM4E 3347/4885

“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.