SCHEMBL7214121

SCHEMBL7214121

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DRD2 P14416 3/20 0.31
DRD4 P21917 3/20 0.31
HTR1A P08908 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TSHR P16473 1/20 0.31
KCNH2 Q12809 2/20 0.30
CACNA1H O95180 1/20 0.30
CYP2D6 P10635 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL7214714 0.93 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7214057 0.93 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7214034 0.93 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7220913 0.92 HTT (0.38) NPC1ALDH1A1KDM1ASIGMAR1HDAC1
Hydrochloric Acid SCHEMBL7220424 0.92 NPC1 (0.41) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7510265 0.91 SIGMAR1 (0.42) NPC1ALDH1A1SIGMAR1HDAC1HDAC6
SCHEMBL7213843 0.90 NPC1 (0.33) NPC1ALDH1A1KDM1ASIGMAR1HDAC1
Hydrochloric Acid SCHEMBL7216056 0.89 KDM1A (0.33) NPC1ALDH1A1KDM1ASIGMAR1HDAC1
SCHEMBL7214804 0.86 ALDH1A1 (0.42) NPC1ALDH1A1SIGMAR1DRD2TSHR
SCHEMBL7220076 0.86 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 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 NPC1 2431/4885ALDH1A1 740/4885KDM1A 4152/4885

“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.