SCHEMBL21788515

SCHEMBL21788515

CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.45
OXTR P30559 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
STS P08842 3/20 0.39
NR1H2 P55055 2/20 0.39
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
CNR1 P21554 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HDAC1 Q13547 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
SCHEMBL2159558 0.88 AVPR1A (0.49) AVPR1AOXTRMEN1KMT2AESR2
SCHEMBL16864998 0.87 AVPR1A (0.40) AVPR1AMEN1KMT2AESR2NR1H2
SCHEMBL12097232 0.86 RORC (0.40) AVPR1AESR2NR1H2USP30HDAC1
SCHEMBL12097185 0.86 GPR119 (0.42) AVPR1AMEN1KMT2AESR2NR1H2
SCHEMBL29716173 0.86 RORC (0.40) AVPR1AESR2NR1H2USP30HDAC1
SCHEMBL17930157 0.84 GPR119 (0.42) AVPR1AMEN1KMT2AESR2NR1H2
SCHEMBL15505675 0.84 HDAC1 (0.43) AVPR1AOXTRESR2NR1H2HDAC1
SCHEMBL29948788 0.84 HDAC1 (0.43) AVPR1AOXTRESR2NR1H2HDAC1
SCHEMBL30008913 0.83 AVPR1A (0.53) AVPR1AESR2NR1H2
SCHEMBL3223037 0.83 AVPR1A (0.53) AVPR1AESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
CN-112638389-A CD73 inhibitors and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2021-04-09 CN disclosed
WO-2020047082-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF Eternity Bioscience Inc. (US) 2020-03-05 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-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF ENTPD5, ENTPD1, NT5E AVPR1A 4419/4885OXTR 3942/4885MEN1 2006/4885
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof ENTPD5, ENTPD1, NT5E AVPR1A 4419/4885OXTR 3942/4885MEN1 2006/4885

“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.