SCHEMBL20802199

SCHEMBL20802199

COc1ccccc1C(C)(C)Cc1ccc(C(C)(C)C)c(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.42
NR3C2 P08235 6/20 0.39
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL24065732 0.87 HSD11B1 (0.36) NR3C1RXRARXRBRXRG
SCHEMBL25001131 0.81 NR3C1 (0.40) NR3C1NR3C2RXRARXRBRXRG
SCHEMBL18714324 0.81 RXRA (0.41) NR3C1RXRARXRBRXRG
SCHEMBL25001119 0.79 NR3C1 (0.40) NR3C1NR3C2RXRARXRBRXRG
SCHEMBL22147201 0.78 SMN1; SMN2 (0.37)
SCHEMBL18672381 0.77 ALDH1A1 (0.47) NR3C1RXRARXRBRXRG
SCHEMBL25722708 0.76 NR1H4 (0.38) NR3C1RXRARXRBRXRG
SCHEMBL6371363 0.75 TDP1 (0.47) RXRARXRBRXRG
SCHEMBL19431079 0.73 NR3C1 (0.40) NR3C1NR3C2
SCHEMBL23869744 0.72 ALDH1A1 (0.47) NR3C1NR3C2

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-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-24 US disclosed
US-20190077786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2019-03-14 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-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists OPRL1, OPRM1, OPRK1 NR3C1 234/4885NR3C2 261/4885HCRTR1 46/4885
US-20190077786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF OPRM1, OPRL1, OPRK1 NR3C1 246/4885NR3C2 194/4885HCRTR1 27/4885

“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.