SCHEMBL7514191

SCHEMBL7514191

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCC1CCCN1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
CHRM4 P08173 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
BRAF P15056 1/20 0.33
GLS O94925 1/20 0.32
EPHX1 P07099 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
POLR1A O95602 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
SCHEMBL7514193 1.00 ACKR3 (0.35) ACKR3HRH3ALDH1A1CYP1A2FPR3
SCHEMBL7214016 0.86 ACKR3 (0.40) ACKR3HRH3ALDH1A1CYP1A2FPR3
SCHEMBL7214022 0.86 ACKR3 (0.40) ACKR3HRH3ALDH1A1CYP1A2FPR3
SCHEMBL7214621 0.85 TSHR (0.33) HRH3SIGMAR1
SCHEMBL7214034 0.84 NPC1 (0.41) HRH3ALDH1A1CYP1A2SIGMAR1
SCHEMBL7214057 0.84 NPC1 (0.41) HRH3ALDH1A1CYP1A2SIGMAR1
SCHEMBL7214714 0.84 NPC1 (0.41) HRH3ALDH1A1CYP1A2SIGMAR1
Hydrochloric Acid SCHEMBL7220424 0.83 NPC1 (0.41) HRH3ALDH1A1CYP1A2SIGMAR1
SCHEMBL7510265 0.82 SIGMAR1 (0.42) ALDH1A1SIGMAR1
SCHEMBL7214804 0.82 ALDH1A1 (0.42) HRH3ALDH1A1CYP1A2FPR3FPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACKR3 1677/4885HRH3 2908/4885ALDH1A1 740/4885

“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.