SCHEMBL20492829

SCHEMBL20492829

CC(C)(C)OC(=O)N1CCC(C=O)(CCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
TACR1 P25103 1/20 0.47
STS P08842 1/20 0.47
GPR119 Q8TDV5 3/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ACHE P22303 1/20 0.43
SCD5 Q86SK9 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL20493002 0.94 SCD5 (0.45) OPRD1OPRK1TACR1STSGPR119
SCHEMBL4024667 0.89 OPRD1 (0.50) OPRD1OPRK1TACR1STSGPR119
SCHEMBL20493183 0.88 OPRD1 (0.46) OPRD1OPRK1TACR1STSGPR119
SCHEMBL20493180 0.88 OPRD1 (0.46) OPRD1OPRK1TACR1STSGPR119
SCHEMBL16554179 0.86 TACR1 (0.55) OPRD1OPRK1TACR1STSGPR119
SCHEMBL22834092 0.85 OPRD1 (0.51) OPRD1OPRK1TACR1STSGPR119
SCHEMBL14279463 0.84 TACR1 (0.49) OPRD1OPRK1TACR1STSGPR119
SCHEMBL20493148 0.84 OPRD1 (0.50) OPRD1OPRK1TACR1STSGPR119
SCHEMBL20493788 0.83 NPC1 (0.60) OPRD1OPRK1TACR1STSGPR119
SCHEMBL1912707 0.83 OPRD1 (0.49) OPRD1OPRK1TACR1STSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584765-B2 Polycyclic amines as sigma receptor modulators Ecstasy LLC (US) 2023-02-21 US disclosed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2022-12-29 US disclosed
US-10676456-B2 Polycyclic amines as opioid receptor modulators Ecstasy LLC 2020-06-09 US disclosed
CN-110662541-A Polycyclic amines as opioid receptor modulators 王晓冬 2020-01-07 CN disclosed
WO-2018169818-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS WANG XIAODONG (US) 2018-09-20 WO disclosed
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2018-09-13 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 (4 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-10676456-B2 Polycyclic amines as opioid receptor modulators OPRM1, OPRL1, OPRK1 OPRD1 4/4885OPRK1 3/4885TACR1 8/4885
US-11584765-B2 Polycyclic amines as sigma receptor modulators OPRM1, SIGMAR1, OPRK1 OPRD1 5/4885OPRK1 3/4885TACR1 11/4885
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 OPRD1 4/4885OPRK1 3/4885TACR1 8/4885
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 OPRD1 4/4885OPRK1 3/4885TACR1 8/4885

“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.