SCHEMBL5777470

SCHEMBL5777470

O=C(CCc1cnoc1-c1ccccc1)Nc1ccc(N2CCOCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.51
RAB9A P51151 4/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 4/20 0.49
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
WNT3A P56704 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
STAT3 P40763 1/20 0.46

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
SCHEMBL5774790 0.88 MAPT (0.64) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL5773983 0.74 GLA (0.53) MAPTSMN1; SMN2LMNAHTT
SCHEMBL5777386 0.74 LMNA (0.47) MAPTSMN1; SMN2LMNAHTT
SCHEMBL22500317 0.74 SHMT2 (0.61) DGAT1RAB9ACYP1A2MAPTNPC1
SCHEMBL17683481 0.74 NPC1 (0.50) RAB9ACYP1A2MAPTNPC1SMN1; SMN2
SCHEMBL5773818 0.74 PORCN (0.57) RAB9AMAPTSMN1; SMN2LMNAWNT3A
SCHEMBL22500647 0.73 MAPT (0.65) DGAT1RAB9ACYP1A2MAPTNPC1
SCHEMBL21379546 0.73 MAPT (0.70) DGAT1RAB9ACYP1A2MAPTNPC1
SCHEMBL5773299 0.73 MAPT (0.54) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL2169030 0.73 MAPT (0.78) DGAT1RAB9ACYP1A2MAPTNPC1

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 DGAT1 560/4885RAB9A 3076/4885CYP1A2 68/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DGAT1 371/4885RAB9A 3507/4885CYP1A2 74/4885

“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.