SCHEMBL21173102

SCHEMBL21173102

COc1ccc2c(c1O)[C@]13CCCCC1[C@@H](CCC3)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
GAA P10253 1/20 0.47
OPRM1 P35372 3/20 0.46
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MRGPRX2 Q96LB1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRD1 P41143 2/20 0.39
SLC22A1 O15245 1/20 0.37
TSHR P16473 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL21081224 1.00 SIGMAR1 (0.47) SIGMAR1GAAOPRM1CYP3A4CYP2D6
SCHEMBL18878794 0.84 GAA (0.68) GAAOPRM1CYP3A4CYP2D6KDM4E
SCHEMBL18878793 0.82 SIGMAR1 (0.45) SIGMAR1GAAOPRM1CYP3A4CYP2D6
SCHEMBL19199626 0.80 GAA (0.72) SIGMAR1GAAOPRM1CYP3A4CYP2D6
SCHEMBL16444908 0.80 GAA (0.72) SIGMAR1GAAOPRM1CYP3A4CYP2D6
SCHEMBL24538638 0.80 GAA (0.72) SIGMAR1GAAOPRM1CYP3A4CYP2D6
SCHEMBL18229424 0.80 GAA (0.72) SIGMAR1GAAOPRM1CYP3A4CYP2D6
SCHEMBL18714586 0.77 OPRM1 (0.60) OPRM1OPRD1
SCHEMBL18994802 0.77 OPRM1 (0.60) OPRM1OPRD1
SCHEMBL21081252 0.76 OPRM1 (0.46) SIGMAR1OPRM1CYP3A4CYP2D6MRGPRX2

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-10752592-B2 Morphan and morphinan analogues, and methods of use ALKERMES PHARMA IRELAND LIMITED (IE) 2020-08-25 US disclosed
US-20190218185-A1 Morphan And Morphinan Analogues, And Methods Of Use JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 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-10752592-B2 Morphan and morphinan analogues, and methods of use MTPN, UTRN, FSCN1 SIGMAR1 1138/4885GAA 398/4885OPRM1 159/4885
US-20190218185-A1 Morphan And Morphinan Analogues, And Methods Of Use MTPN, UTRN, FSCN1 SIGMAR1 1138/4885GAA 398/4885OPRM1 159/4885

“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.