SCHEMBL5775644

SCHEMBL5775644

O=[C]N(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.41
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.32
TLK2 Q86UE8 1/20 0.31
CSNK1A1 P48729 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1A P35348 2/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL10275189 0.76 TAAR1 (0.49) TAAR1CYP2D6TSHRMTORADK
SCHEMBL6225489 0.74 USP2 (0.35) LMNABLMSMN1; SMN2KMT2APOLB
SCHEMBL11883483 0.73 TAAR1 (0.47) TAAR1CYP2D6TSHRMTORADK
SCHEMBL8612344 0.73 TAAR1 (0.53) TAAR1CYP2D6TSHRMTORADK
SCHEMBL5775648 0.72 TAAR1 (0.41) TAAR1CYP2D6TSHRMTORADK
SCHEMBL104821 0.72 ALDH1A1 (0.42) CYP2D6TSHRGLAKMT2APOLB
SCHEMBL3240001 0.71 TAAR1 (0.45) TAAR1CYP2D6TSHRMTORADK
SCHEMBL9183264 0.71 ALDH1A1 (0.44) CYP2D6TSHRLMNASMN1; SMN2KMT2A
SCHEMBL27467097 0.70 CSNK1A1 (0.42) TAAR1CYP2D6TSHRMTORADK
SCHEMBL9276044 0.70 KMT2A (0.43) TAAR1CYP2D6KMT2APOLBKDM4E

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 TAAR1 3159/4885CYP2D6 192/4885TSHR 534/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TAAR1 3134/4885CYP2D6 190/4885TSHR 583/4885

“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.