SCHEMBL23660735

SCHEMBL23660735

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
TACR1 P25103 1/20 0.46
PDK2 Q15119 1/20 0.46
HDAC4 P56524 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.43
KDM1A O60341 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
MAPT P10636 1/20 0.41
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30017973 1.00 TSHR (0.47) TSHRALOX15ATMTACR1PDK2
Potassium Ion SCHEMBL30018204 0.98 TSHR (0.45) TSHRALOX15ATMTACR1PDK2
SCHEMBL30018464 0.87 TACR1 (0.47) TSHRALOX15ATMTACR1PDK2
SCHEMBL23660737 0.87 TACR1 (0.47) TSHRALOX15ATMTACR1PDK2
SCHEMBL3326302 0.85 PDK2 (0.50) TSHRALOX15ATMTACR1PDK2
SCHEMBL17505251 0.85 TACR1 (0.47) TSHRALOX15ATMTACR1PDK2
Potassium Ion SCHEMBL30017825 0.85 TACR1 (0.45) TSHRALOX15ATMTACR1PDK2
SCHEMBL23647451 0.84 HDAC4 (0.50) HDAC4OPRL1MEN1KMT2A
SCHEMBL26633580 0.83 ATM (0.51) TSHRALOX15ATMPDK2HDAC4
SCHEMBL23647418 0.82 TSHR (0.47) TSHRALOX15ATMPDK2OPRD1

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 5 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
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 TSHR 2878/4885ALOX15 1538/4885ATM 2932/4885

“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.