SCHEMBL20439500

SCHEMBL20439500

CC(C)(C)OC(=O)N1CCC2(CC1)/C(=C\c1ccccc1)C(=O)/C2=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
ATM Q13315 1/20 0.45
USP30 Q70CQ3 1/20 0.43
TACR1 P25103 1/20 0.42
STS P08842 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MDM2 Q00987 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL23464250 0.88 HDAC2 (0.46) TSHRALOX15OPRD1OPRK1RORC
SCHEMBL23464262 0.86 OPRD1 (0.44) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL23464183 0.85 GPR119 (0.47) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL23464015 0.84 OPRD1 (0.42) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL23464453 0.83 F13A1 (0.42) OPRD1OPRK1GPR119STSMEN1
SCHEMBL23464252 0.83 OPRD1 (0.48) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL23464022 0.81 MEN1 (0.45) OPRD1OPRK1USP30STSRORC
SCHEMBL20511867 0.79 OPRD1 (0.49) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL29993143 0.79 OPRD1 (0.49) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL23464517 0.79 GPR119 (0.44) OPRD1OPRK1GPR119USP30ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163420-A1 Novel Spiro and Cyclic Bis-Benzylidine Proteasome Inhibitor for the Treatment of Cancer, Diabetes and Neurological Disorders UP THERAPEUTICS, INC. (US) 2021-06-03 US disclosed
US-10947199-B2 Spiro and cyclic bis-benzylidene proteasome inhibitor for the treatment of cancer, diabetes and neurological disorders UP THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
WO-2018140907-A1 NOVEL SPIRO AND CYCLIC BIS-BENZYLIDINE PROTEASOME INHIBITOR FOR THE TREATMENT OF CANCER, DIABETES AND NEUROLOGICAL DISORDERS UP THERAPEUTICS INC. (US) 2018-08-02 WO 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-10947199-B2 Spiro and cyclic bis-benzylidene proteasome inhibitor for the treatment of cancer, diabetes and neurological disorders ADRM1, PSMC1, PSMB11 TSHR 1921/4885ALOX15 3897/4885OPRD1 472/4885
US-20210163420-A1 Novel Spiro and Cyclic Bis-Benzylidine Proteasome Inhibitor for the Treatment of Cancer, Diabetes and Neurological Disorders ADRM1, PSMC1, PSMB11 TSHR 2513/4885ALOX15 3647/4885OPRD1 482/4885

“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.