SCHEMBL5776524

SCHEMBL5776524

O=C(CCc1cnoc1-c1ccc(F)cc1)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.43
CNR1 P21554 4/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CASR P41180 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 3/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38

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
SCHEMBL5773900 0.86 CYP1A2 (0.52) EPHX2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5773717 0.84 L3MBTL1 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2C9
SCHEMBL5776806 0.84 SLC6A9 (0.43) SLC6A4SLC6A3POLB
SCHEMBL5774072 0.83 LMNA (0.54) POLBCYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5774844 0.81 HDAC4 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2C9
SCHEMBL5773408 0.81 LMNA (0.48) POLBHDAC4HDAC6
SCHEMBL5777386 0.80 LMNA (0.47) POLBCNR2
SCHEMBL5775822 0.80 HPGD (0.49) POLBHDAC4HDAC6
SCHEMBL5776587 0.78 LMNA (0.40) EPHX2POLBHDAC1HDAC2HDAC8
SCHEMBL5772132 0.78 LMNA (0.54) SLC6A2SLC6A4SLC6A3POLB

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 EPHX2 1846/4885CNR1 927/4885SLC6A2 2879/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 EPHX2 2389/4885CNR1 502/4885SLC6A2 3002/4885

“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.