SCHEMBL23660728

SCHEMBL23660728

NC1(c2c(F)cccc2F)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
OPRM1 P35372 1/20 0.38
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HTR1A P08908 4/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
HTR5A P47898 2/20 0.33
DPP4 P27487 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL6904575 0.84 HTR5A (0.34) HTR5A
SCHEMBL18769733 0.80
Hydrochloric Acid SCHEMBL18742474 0.78
SCHEMBL1513456 0.75 DRD2 (0.46) HTR2COPRM1HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL14660717 0.75 HTR2C (0.42) HTR2COPRM1HTR1ASLC6A2SLC6A4
SCHEMBL3491490 0.73 PARP1 (0.35) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL31159059 0.71 HTR5A (0.33) HTR2CHTR5A
SCHEMBL12209696 0.71 MAOB (0.41) OPRM1SLC6A3DPP4
SCHEMBL3896999 0.71 SLC6A3 (0.45) OPRM1SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL25280986 0.71 HTR2C (0.40) HTR2COPRM1HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867720-B Heteroaryl derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-10-22 CN 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
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
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 HTR2C 2168/4885OPRM1 4509/4885DPP9 2177/4885

“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.