SCHEMBL7213843

SCHEMBL7213843

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCN1CCC(N(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
KDM1A O60341 1/20 0.33
CCR5 P51681 2/20 0.32
ALDH1A1 P00352 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CHRM4 P08173 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TSHR P16473 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
Hydrochloric Acid SCHEMBL7216056 0.99 KDM1A (0.33) NPC1KDM1ACCR5ALDH1A1UBE2M
SCHEMBL7214057 0.91 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7214034 0.91 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7214714 0.91 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7214121 0.90 NPC1 (0.34) NPC1KDM1AALDH1A1SIGMAR1HTR1A
SCHEMBL7220913 0.90 HTT (0.38) NPC1KDM1AALDH1A1SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL7220424 0.90 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7510265 0.89 SIGMAR1 (0.42) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7220288 0.86 ALDH1A1 (0.34) NPC1KDM1ACCR5ALDH1A1UBE2M
SCHEMBL7220076 0.85 ALDH1A1 (0.42) NPC1ALDH1A1SIGMAR1DRD2TSHR

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 6 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 claimed
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 claimed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP claimed
US-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
US-20020077357-A1 N-substituted-N'-substituted urea derivatives and the use thereof as TNF-alpha production inhibitory agents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$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 NPC1 2431/4885KDM1A 4152/4885CCR5 1033/4885

“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.