SCHEMBL17219081

SCHEMBL17219081

NCCCN1CCSC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 2/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.31
HTR7 P34969 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
SCHEMBL424589 0.77 KMT2A (0.39) SMN1; SMN2
SCHEMBL4079827 0.69 KEAP1 (0.32) KEAP1SMN1; SMN2SIGMAR1CYP2D6
SCHEMBL6223267 0.69 KEAP1 (0.54) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL19624309 0.68 KEAP1 (0.34) KEAP1SMN1; SMN2
SCHEMBL19439256 0.68 PIK3CD (0.55) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL1959159 0.67 SMN1; SMN2 (0.38) KEAP1SMN1; SMN2
SCHEMBL7557613 0.66
SCHEMBL101501 0.65 KEAP1 (0.67) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL1616800 0.65
SCHEMBL11232864 0.65

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-9540338-B2 Substituted cinnamic acid amides for treating pain NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20150322024-A1 Cinnamic Acid Amide Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2940003-A1 CINNAMIC ACID AMIDE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2015-11-04 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-20150322024-A1 Cinnamic Acid Amide Derivative OPRL1, TRPV1, TRPA1 KEAP1 537/4885SMN1; SMN2 929/4885SIGMAR1 262/4885

“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.