SCHEMBL5773415

SCHEMBL5773415

C#CCNC(=O)CCc1cnoc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HPGD P15428 3/20 0.35
P2RX7 Q99572 2/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 5/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL5773408 0.83 LMNA (0.48) HPGDLMNAUSP2TSHRHDAC4
SCHEMBL5769962 0.82 SMN1; SMN2 (0.41) HDAC1HDAC2HDAC8HPGDMAPT
SCHEMBL5775822 0.82 HPGD (0.49) HPGDMAPTLMNAHDAC4HDAC6
SCHEMBL5774227 0.81 ALDH1A1 (0.38) MTNR1AMTNR1BHDAC1HDAC2HDAC8
SCHEMBL5774072 0.81 LMNA (0.54) HPGDMAPTLMNATSHRSMN1; SMN2
SCHEMBL5776587 0.80 LMNA (0.40) HDAC1HDAC2HDAC8HPGDLMNA
SCHEMBL5773900 0.80 CYP1A2 (0.52) HPGDSMN1; SMN2KDM4EEPHX2ALDH1A1
SCHEMBL5773931 0.79 CYP11B1 (0.44) MTNR1AMTNR1BHDAC1HDAC2HDAC8
SCHEMBL5773998 0.79 FFAR1 (0.46) HPGDMAPTLMNAUSP2TSHR
SCHEMBL5775136 0.78 BACE1 (0.47) LMNATSHRSMN1; SMN2KDM4EPOLB

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 MTNR1A 1142/4885MTNR1B 1402/4885HDAC1 353/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MTNR1A 606/4885MTNR1B 843/4885HDAC1 184/4885

“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.