SCHEMBL23660733

SCHEMBL23660733

CC(C)(C)OC(=O)N1CCC(C#N)(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
TACR1 P25103 1/20 0.45
PDK2 Q15119 1/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
KDM1A O60341 1/20 0.39
MAPT P10636 1/20 0.39
RORC P51449 1/20 0.39
BDKRB1 P46663 1/20 0.39

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
SCHEMBL30018046 1.00 ADRA1D (0.48) ADRA1DADRA1AADRA1BTACR1PDK2
SCHEMBL12877871 0.87 PDK2 (0.44) TACR1PDK2HDAC1HDAC8HDAC6
SCHEMBL7710592 0.85 ADRA1D (0.46) ADRA1DADRA1AADRA1BPDK2HDAC1
SCHEMBL31158306 0.84 ADRA1D (0.45) ADRA1DADRA1AADRA1BPDK2HDAC1
SCHEMBL21855700 0.84 PDK2 (0.43) TACR1PDK2HDAC1HDAC8HDAC6
SCHEMBL29446735 0.84 GPR119 (0.44) TACR1PDK2HDAC1HDAC8HDAC6
SCHEMBL7704701 0.84 GPR119 (0.47) PDK2HDAC1HDAC8HDAC6TSHR
SCHEMBL4362609 0.84 GPR119 (0.44) TACR1PDK2HDAC1HDAC8HDAC6
SCHEMBL1513325 0.84 ADRA1D (0.45) ADRA1DADRA1AADRA1BPDK2HDAC1
SCHEMBL29505978 0.84 PDK2 (0.43) TACR1PDK2HDAC1HDAC8HDAC6

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-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
EP-4092019-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-114867720-A Heteroaryl derivative and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-05 CN disclosed
WO-2021143680-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2021-07-22 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 (1 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-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof PTPN11, PTPN1, PTPN7 ADRA1D 2384/4885ADRA1A 2066/4885ADRA1B 2081/4885

“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.