SCHEMBL22018067

SCHEMBL22018067

COC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)[C@@H](C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 2/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ NR1H2 P55055 2/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ UCHL1 P09936 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ SPR P35270 4/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ EED O75530 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ AEBP2 Q6ZN18 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL20691645 0.90 DRD3 (0.43) DRD3DRD4NR1H2NR1H3UCHL1
SCHEMBL22615358 0.88 MEN1 (0.39) SPRGPR119HDAC1MAP4K4ELANE
SCHEMBL20691685 0.88 MEN1 (0.39) SPRGPR119HDAC1MAP4K4ELANE
SCHEMBL17936948 0.86 SPR (0.36) DRD3DRD4SPRGPR119HDAC1
SCHEMBL21058315 0.85 GPR119 (0.38) NR1H2SPRGPR119HDAC1MAP4K4
SCHEMBL19632326 0.85 GPR119 (0.38) NR1H2SPRGPR119HDAC1MAP4K4
SCHEMBL21260292 0.84 GPR119 (0.37) SPRGPR119HDAC1MAP4K4ELANE
SCHEMBL21058322 0.83 HDAC1 (0.38) SPRGPR119HDAC1MAP4K4TSHR
SCHEMBL19632286 0.83 HDAC1 (0.38) SPRGPR119HDAC1MAP4K4TSHR
SCHEMBL17925539 0.83 HDAC1 (0.39) NR1H2SPRGPR119HDAC1MAP4K4

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-109952305-B Piperazino heteroaryl derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-21 — — CN disclosed
US-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-02-15 — — US disclosed
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-05-21 — — US 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-11247998-B2 Piperazine heteroaryl derivative, preparation method therefor and use of same in medicine IKZF2, WEE1, NOTUM DRD3 4462/4885DRD4 4402/4885NR1H2 183/4885
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM DRD3 4462/4885DRD4 4402/4885NR1H2 183/4885

“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.

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