SCHEMBL6737432

SCHEMBL6737432

CC(C)CCN(CCO)C(=O)NCCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA4 P43681 3/20 0.38
DNM1 Q05193 2/20 0.35
MAPT P10636 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA3 P32297 2/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
SLC29A1 Q99808 1/20 0.31

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
SCHEMBL6740809 0.81 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4DNM1HPGD
SCHEMBL6895421 0.79 ALDH1A1 (0.42) MAPTALDH1A1
SCHEMBL7762761 0.77 ALDH1A1 (0.39) CHRNB2CHRNB4CHRNA4MAPTALDH1A1
SCHEMBL6899270 0.76 PYGL (0.31) ALDH1A1
SCHEMBL6889408 0.75 CYP3A4 (0.44)
SCHEMBL27538373 0.75 CYP3A4 (0.44)
SCHEMBL691955 0.72 ALDH1A1 (0.41) CHRNB2CHRNB4CHRNA4MAPTCA1
SCHEMBL6731438 0.72 PKM (0.41) HPGDALDH1A1PKM
SCHEMBL1526306 0.71 MMP1 (0.39) CHRNB2CHRNB4CHRNA4DNM1MAPT
SCHEMBL12155305 0.71 USP2 (0.39) CHRNB2CHRNB4CHRNA4CA1CA2

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-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME 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-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS CHRNB2 3239/4885CHRNB4 3041/4885CHRNA4 3305/4885

“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.