SCHEMBL22017718

SCHEMBL22017718

COC(=O)c1ccn2c1CN(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
THRB P10828 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
BLM P54132 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL14849264 0.81 PARP2 (0.38) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL20022608 0.78 ALDH1A1 (0.45) LMNAALDH1A1KDM4EGAAMEN1
SCHEMBL3016725 0.76 NR1H2 (0.54) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL16412280 0.76 ALDH1A1 (0.47) LMNATHRBALDH1A1KDM4EGAA
SCHEMBL21570172 0.74 CHRM3 (0.41) LMNACHRM3ALDH1A1KDM4EGAA
SCHEMBL21809822 0.72 HTT (0.47) ALDH1A1GAAMEN1KMT2AHPGD
SCHEMBL21844094 0.71 MEN1 (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL16467875 0.69 KMT2A (0.41) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL17815240 0.69 DRD3 (0.38)
SCHEMBL22859092 0.67 PRMT5 (0.47) LMNACHRM2CHRM4CHRM5THRB

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
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US 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 (3 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 LMNA 2492/4885CHRM2 4661/4885CHRM4 4799/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP LMNA 2483/4885CHRM2 4703/4885CHRM4 4335/4885
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM LMNA 2492/4885CHRM2 4661/4885CHRM4 4799/4885

“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.