SCHEMBL5774868

SCHEMBL5774868

CC1CCCCN1CCCN(CCCc1cnoc1-c1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.38
HRH3 Q9Y5N1 3/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC3 O15379 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
ACKR3 P25106 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL5773426 0.93 ACHE (0.41) HRH3KDM4EALDH1A1SCN1ASCN2A
Trifluoroacetic Acid SCHEMBL5774863 0.81 HSD17B10 (0.43) TRPV1HRH3KDM4EALDH1A1
SCHEMBL5776662 0.80 TRPV1 (0.37) TRPV1HDAC4HDAC1HDAC2HDAC8
SCHEMBL5772669 0.77 NOS1 (0.42) HDAC4HDAC6
SCHEMBL5773778 0.76 PLA2G7 (0.36) KDM4EALDH1A1HDAC4HDAC3KCNH2
SCHEMBL5774056 0.76 TRPV1 (0.38) TRPV1HDAC1HDAC2HDAC8
SCHEMBL5775722 0.76 GSK3B (0.41) TRPV1HDAC4KCNH2HDAC1HDAC2
SCHEMBL5907124 0.76 FAAH (0.36) TRPV1HDAC1HDAC2HDAC8
SCHEMBL5775676 0.76 PLA2G7 (0.37) ALDH1A1HDAC4HDAC3KCNH2HDAC1
SCHEMBL5773350 0.75 TSHR (0.40) ALDH1A1

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 3 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
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 (1 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 TRPV1 2864/4885HRH3 270/4885KDM4E 3953/4885

“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.