SCHEMBL5773696

SCHEMBL5773696

N#CC1(c2ccccc2)CCN(C(=O)CCc2cnoc2-c2ccc(F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
FFAR4 Q5NUL3 3/20 0.40
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1A3 P47895 1/20 0.38
GFER P55789 1/20 0.38
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 1/20 0.37
F11 P03951 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
SCHEMBL5772700 0.87 DRD2 (0.45) ALDH1A1GFEREPHX2
SCHEMBL5775324 0.84 TACR1 (0.46) CA12CA1CA2CA9CA7
SCHEMBL5774738 0.79 LMNA (0.46) ALDH1A1
SCHEMBL5776036 0.79 LMNA (0.46) ALDH1A1
SCHEMBL5773468 0.79 LMNA (0.46) ALDH1A1
SCHEMBL5772145 0.78 DRD2 (0.46) CA12CA1CA2CA9CA7
SCHEMBL5774084 0.78 DRD2 (0.58) CYP2D6KCNH2
SCHEMBL5774326 0.77 GABRA5 (0.39) ALDH1A1GFER
SCHEMBL5771838 0.77 KDM4E (0.53) ALDH1A1GFER
SCHEMBL5771554 0.76 GRIN2B (0.40) ALDH1A1GFER

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 CA12 1695/4885CA1 1346/4885CA2 981/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CA12 2856/4885CA1 1498/4885CA2 988/4885

“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.