SCHEMBL3897364

SCHEMBL3897364

O=C(O)N1CCC(CNc2nccs2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.67
CYP2D6 P10635 1/20 0.48
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL210422 0.82 EPHX2 (0.71) GRIN2BCYP2D6EPHX2POLBKDM4E
SCHEMBL5352863 0.81 GRIN2B (1.00) GRIN2BCYP2D6
SCHEMBL3449454 0.79 MEN1 (0.46) GRIN2BCYP2D6EPHX2KDM4EMAPT
SCHEMBL20508546 0.77 GRIN2B (0.67) GRIN2B
SCHEMBL13493665 0.74 GRIN2B (0.46) GRIN2BCYP2D6EPHX2POLBMAPT
SCHEMBL12806994 0.74 GRIN2B (0.46) GRIN2BEPHX2POLB
SCHEMBL4427585 0.74 ALDH1A1 (0.48) GRIN2BPOLBKDM4EMAPTGAA
SCHEMBL20775269 0.73 GRIN2B (0.66) GRIN2BCYP2D6EPHX2
SCHEMBL3903559 0.73 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1582298 0.72 CHRM5 (0.41) GRIN2BCYP2D6POLBSMN1; SMN2

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-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 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-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 GRIN2B 1723/4885CYP2D6 129/4885EPHX2 1222/4885

“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.