SCHEMBL5771833

SCHEMBL5771833

O=C(N(CCCc1cnoc1-c1ccc(F)cc1)C1CCN(Cc2ccccc2)C1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
ACHE P22303 2/20 0.41
OPRM1 P35372 4/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CHRM4 P08173 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CACNA2D1 P54289 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL5773476 0.94 DRD2 (0.46) DRD2DRD4ACHEOPRM1UBE2M
SCHEMBL5771825 0.89 KCNH2 (0.47) DRD2DRD4ACHEOPRM1UBE2M
Trifluoroacetic Acid SCHEMBL5773674 0.86 OPRM1 (0.47) DRD2DRD4OPRM1UBE2MDCUN1D1
SCHEMBL5774218 0.84 OPRM1 (0.50) DRD2DRD4OPRM1UBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL5774584 0.83 MEN1 (0.44) DRD2DRD4ACHEOPRM1HDAC3
SCHEMBL5774454 0.83 SIGMAR1 (0.41) ACHECHRM4KDM4ELMNAGAA
Trifluoroacetic Acid SCHEMBL5771830 0.78 DRD2 (0.54) DRD2DRD4ACHEHDAC3HDAC4
SCHEMBL5772881 0.75 HDAC8 (0.32) KDM4E
Trifluoroacetic Acid SCHEMBL5776822 0.74 DPP8 (0.50)
SCHEMBL5775676 0.74 PLA2G7 (0.37) DRD2HDAC3HDAC4HDAC7HDAC9

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 DRD2 2788/4885DRD4 2268/4885ACHE 3102/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DRD2 2833/4885DRD4 2538/4885ACHE 3786/4885

“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.