SCHEMBL5775136

SCHEMBL5775136

O=C(CCc1cnoc1-c1ccc(F)cc1)NCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 4/20 0.40
POLB P06746 3/20 0.40
NPC1 O15118 2/20 0.40
GRIN2B Q13224 1/20 0.40
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL5776115 0.85 LMNA (0.56) KMT2ASMN1; SMN2RAB9APOLBHTT
SCHEMBL5777123 0.85 HPGD (0.50) KMT2AMEN1SMN1; SMN2RAB9APOLB
SCHEMBL5774126 0.81 MEN1 (0.43) KMT2AMEN1SMN1; SMN2RAB9APOLB
SCHEMBL5772900 0.79 BACE1 (0.46) BACE1KMT2AMEN1RAB9ANPC1
SCHEMBL5773415 0.78 MTNR1A (0.38) SMN1; SMN2POLBTSHRKDM4ELMNA
SCHEMBL5773408 0.77 LMNA (0.48) SMN1; SMN2RAB9APOLBNPC1MAPK1
SCHEMBL5774072 0.77 LMNA (0.54) KMT2AMEN1SMN1; SMN2RAB9APOLB
SCHEMBL5771304 0.76 APOL1 (0.48) RAB9A
SCHEMBL5769962 0.76 SMN1; SMN2 (0.41) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL5773900 0.76 CYP1A2 (0.52) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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 BACE1 1040/4885KMT2A 3907/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 BACE1 619/4885KMT2A 2906/4885MEN1 2072/4885

“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.