SCHEMBL7220718

SCHEMBL7220718

O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)N(CCO)CCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.52
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 3/20 0.48
TPSAB1 Q15661 2/20 0.48
TPSD1 Q9BZJ3 2/20 0.48
TPSG1 Q9NRR2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
NAPEPLD Q6IQ20 1/20 0.46
CYP2C19 P33261 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
FAAH O00519 1/20 0.44
F13A1 P00488 1/20 0.43

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
SCHEMBL458148 0.77 SMN1; SMN2 (0.68) GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1
SCHEMBL29532829 0.76 GRIN2B (0.67) GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1
SCHEMBL26077263 0.76 SMN1; SMN2 (0.60) GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1
SCHEMBL7213852 0.75 KMT2A (0.39) CYP2D6
SCHEMBL7107231 0.75 SMN1; SMN2 (0.65) GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1
SCHEMBL6898356 0.75 CASR (0.39)
SCHEMBL3630271 0.75 GRIN2B (0.62) GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1
SCHEMBL15140566 0.75 SMN1; SMN2 (0.72) GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1
SCHEMBL5366902 0.74 TPSAB1 (0.72) GRIN2BCYP2D6CYP2C9CYP3A4TPSAB1
SCHEMBL6890662 0.74 CTSL (0.40)

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-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 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-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents TNF, NFKBIA, CHUK GRIN2B 4091/4885CYP2D6 2016/4885CYP2C9 1764/4885

“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.