SCHEMBL21169268

SCHEMBL21169268

CN(C)C(=O)NCCc1cnc(O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 2/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
BLM P54132 1/20 0.38
F13A1 P00488 1/20 0.38
TSHR P16473 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL19049443 0.81 KDM4E (0.58) KDM4EHIF1AMAPTHSD17B10ALDH1A1
SCHEMBL19001320 0.78 ACACB (0.48) HPGDACACBSMN1; SMN2MEN1KMT2A
SCHEMBL19001323 0.77 POLB (0.47) OPRK1KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL24160954 0.76 MTNR1A (0.46) KDM4EMAPTLMNANPC1ACACB
SCHEMBL24827546 0.75 KDM4E (0.44) OPRM1OPRD1OPRK1KDM4EHIF1A
SCHEMBL14106337 0.74 CA12 (0.58) OPRM1OPRD1OPRK1MAPTALDH1A1
SCHEMBL847718 0.71 TAAR1 (0.52) OPRM1OPRD1OPRK1KDM4EF13A1
SCHEMBL16290474 0.71 CYP1A2 (0.61) MAPTHSD17B10LMNATSHRNPC1
SCHEMBL21776424 0.67 NAMPT (0.38) CHRNB2CHRNB4CHRNA4MAPTLMNA
SCHEMBL11107567 0.64 L3MBTL1 (0.62) KDM4EMAPTHSD17B10ALDH1A1HPGD

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US 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 (2 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 OPRM1 3991/4885OPRD1 3609/4885OPRK1 1599/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 OPRM1 3875/4885OPRD1 3451/4885OPRK1 1616/4885

“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.