SCHEMBL5771838

SCHEMBL5771838

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
CCR3 P51677 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 1/20 0.44
TACR1 P25103 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL5776181 0.85 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5771554 0.85 GRIN2B (0.40) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5799823 0.82 KMT2A (0.55) KDM4EALDH1A1MAPTPOLBKMT2A
SCHEMBL5776036 0.81 LMNA (0.46) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5773468 0.81 LMNA (0.46) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5774738 0.81 LMNA (0.46) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5775704 0.81 LMNA (0.39) KDM4EALDH1A1MAPTHPGDKMT2A
Trifluoroacetic Acid SCHEMBL5776822 0.80 DPP8 (0.50) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL5770603 0.80 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5772700 0.80 DRD2 (0.45) ALDH1A1MEN1KMT2ALMNAGFER

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

“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.