SCHEMBL20955355

SCHEMBL20955355

O=C(OCc1ccccc1)N1CCC2(CC1)CNc1c(I)ccc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.44
OPRD1 P41143 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GRIN2B Q13224 2/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM1A O60341 2/20 0.42
CYP2C19 P33261 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
HTR2C P28335 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41

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
SCHEMBL16782756 0.86 PTGDR2 (0.45) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL12877926 0.82 HDAC1 (0.48) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL20955197 0.79 MEN1 (0.47) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL12878024 0.76 HDAC1 (0.48) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL25278884 0.75 MEN1 (0.47) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL3167926 0.75 MEN1 (0.47) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL20955217 0.74 OPRK1 (0.45) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL1196006 0.74 MEN1 (0.51) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL1196005 0.74 MEN1 (0.51) OPRK1OPRD1MEN1KMT2ANPSR1
SCHEMBL16782793 0.74 ALDH1A1 (0.44) OPRK1OPRD1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 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 (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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 OPRK1 1945/4885OPRD1 718/4885MEN1 1930/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 OPRK1 1683/4885OPRD1 606/4885MEN1 2535/4885

“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.