SCHEMBL5773586

SCHEMBL5773586

O=C(CCc1cnoc1-c1ccc(Br)cc1)N1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
PPARA Q07869 1/20 0.38
THRB P10828 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
LMNA P02545 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
GPR183 P32249 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 4/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTT P42858 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
SCHEMBL5771554 0.89 GRIN2B (0.40) MAPTALDH1A1HPGDCCNCCDK8
SCHEMBL5773845 0.81 TNKS (0.40) MAPTSMN1; SMN2ALDH1A1HPGDCCNC
SCHEMBL5773832 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1THRBLMNANPC1
SCHEMBL5770782 0.80 ENPP2 (0.36) PPARATRPV1
Trifluoroacetic Acid SCHEMBL5773532 0.79 POLB (0.44) MAPTSMN1; SMN2ALDH1A1HPGDPPARA
SCHEMBL5769580 0.79 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL5772145 0.78 DRD2 (0.46) SMN1; SMN2ALDH1A1PPARANPC1RAB9A
SCHEMBL5799823 0.78 KMT2A (0.55) MAPTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL5776861 0.77 PPARA (0.48) MAPTALDH1A1HPGDPPARACCNC
SCHEMBL5776181 0.77 KDM4E (0.38) MAPTALDH1A1HPGDLMNARAB9A

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 MAPT 4701/4885SMN1; SMN2 3383/4885ALDH1A1 1045/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885SMN1; SMN2 2449/4885ALDH1A1 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.