SCHEMBL21220697

SCHEMBL21220697

O[C@]1(c2cccc(I)c2)[C@@H]2CCC[C@H]1CN(CC1CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.46
OPRK1 P41145 7/20 0.46
OPRD1 P41143 6/20 0.46
SIGMAR1 Q99720 1/20 0.39
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN11A Q9UI33 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
OPRL1 P41146 1/20 0.37

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
SCHEMBL21220699 1.00 OPRM1 (0.46) OPRM1OPRK1OPRD1SIGMAR1SCN1A
SCHEMBL21220701 1.00 OPRM1 (0.46) OPRM1OPRK1OPRD1SIGMAR1SCN1A
SCHEMBL21220368 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1
SCHEMBL23700168 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1
SCHEMBL21220335 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1
SCHEMBL23700157 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1
SCHEMBL23700169 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1
SCHEMBL21220371 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1
SCHEMBL21224915 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1
SCHEMBL21220374 0.82 FUCA1 (0.43) OPRM1SIGMAR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033394-A1 COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. 2022-02-03 US disclosed
US-11180455-B2 Compounds for the treatment of pain ALKERMES, INC. 2021-11-23 US disclosed
US-20200255383-A1 COMPOUNDS FOR THE TREATMENT OF PAIN JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-13 US disclosed
US-10604489-B2 Compounds for the treatment of pain ALKERMES, INC. (US) 2020-03-31 US disclosed
US-20190241524-A1 COMPOUNDS FOR THE TREATMENT OF PAIN JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-08-08 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 (5 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-10604489-B2 Compounds for the treatment of pain OPRK1, OPRL1, ACHE OPRM1 7/4885OPRK1 1/4885OPRD1 4/4885
US-20190241524-A1 COMPOUNDS FOR THE TREATMENT OF PAIN OPRK1, OPRL1, ACHE OPRM1 7/4885OPRK1 1/4885OPRD1 4/4885
US-11180455-B2 Compounds for the treatment of pain OPRK1, OPRL1, ACHE OPRM1 7/4885OPRK1 1/4885OPRD1 4/4885
US-20220033394-A1 COMPOUNDS FOR THE TREATMENT OF PAIN OPRK1, OPRL1, ACHE OPRM1 7/4885OPRK1 1/4885OPRD1 4/4885
US-20200255383-A1 COMPOUNDS FOR THE TREATMENT OF PAIN OPRK1, OPRL1, ACHE OPRM1 7/4885OPRK1 1/4885OPRD1 4/4885

“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.