SCHEMBL30017530

SCHEMBL30017530

NC1(c2ccccc2Cl)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
OPRM1 P35372 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HDAC4 P56524 1/20 0.38
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HTR2A P28223 2/20 0.37
DRD2 P14416 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL23647453 1.00 ADRB1 (0.40) ADRB1OPRM1GRIN1GRIN2ASIGMAR1
SCHEMBL1604324 0.86 HDAC4 (0.43) OPRM1GRIN1GRIN2AHDAC4GRIN2D
SCHEMBL30344664 0.86 HDAC4 (0.43) OPRM1GRIN1GRIN2AHDAC4GRIN2D
Hydrochloric Acid SCHEMBL2364251 0.84 HDAC4 (0.42) GRIN1GRIN2AHDAC4GRIN2DGRIN3B
SCHEMBL18742758 0.82 HDAC4 (0.44) GRIN1GRIN2AHDAC4GRIN2DGRIN3B
SCHEMBL8284917 0.82 HDAC4 (0.49) GRIN1GRIN2AHDAC4GRIN2DGRIN3B
SCHEMBL29857957 0.82 HDAC4 (0.44) GRIN1GRIN2AHDAC4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL18742446 0.80 HDAC4 (0.43) GRIN1GRIN2AHDAC4GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL29858001 0.80 HDAC4 (0.43) GRIN1GRIN2AHDAC4GRIN2DGRIN3B
SCHEMBL652087 0.77 SIGMAR1 (0.57) ADRB1OPRM1GRIN1GRIN2ASIGMAR1

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
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
EP-4092019-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2022-11-23 EP 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 ADRB1 1622/4885OPRM1 4509/4885GRIN1 2023/4885

“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.