SCHEMBL5776181

SCHEMBL5776181

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCC(CCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.36
CACNA1B Q00975 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
FAAH O00519 1/20 0.36
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36

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
SCHEMBL5771554 0.87 GRIN2B (0.40) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5771838 0.85 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5799823 0.84 KMT2A (0.55) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL5776036 0.84 LMNA (0.46) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5774738 0.84 LMNA (0.46) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5773468 0.84 LMNA (0.46) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5775704 0.83 LMNA (0.39) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5774326 0.82 GABRA5 (0.39) MAPTALDH1A1HPGDLMNARAB9A
Trifluoroacetic Acid SCHEMBL5777361 0.81 MAPT (0.44) KDM4EMAPTALDH1A1HPGDLMNA
SCHEMBL5771819 0.81 RAB9A (0.42) KDM4EMAPTLMNARAB9AKMT2A

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 KDM4E 3953/4885MAPT 4701/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KDM4E 3347/4885MAPT 4763/4885ALDH1A1 682/4885

“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.