SCHEMBL22302309

SCHEMBL22302309

NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 0.79
▸ DRD3 P35462 14/20 0.60
▸ HTR1A P08908 2/20 0.54
▸ ADRA2A P08913 2/20 0.54
▸ DRD4 P21917 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ HTR2C P28335 2/20 0.54
▸ HTR7 P34969 2/20 0.54
▸ ADRA1A P35348 2/20 0.54
▸ HRH1 P35367 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ DRD5 P21918 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ SLC6A4 P31645 2/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ CHRM4 P08173 1/20 0.53

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
SCHEMBL23330962 1.00 DRD2 (0.79) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL30579548 1.00 DRD2 (0.79) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL30065991 1.00 DRD2 (0.79) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL22302317 1.00 DRD2 (0.79) DRD2DRD3HTR1AADRA2ADRD4
Hydrochloric Acid SCHEMBL28474663 0.99 DRD2 (0.77) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL25106928 0.92 DRD2 (0.68) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL20672353 0.88 DRD2 (1.00) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL2034152 0.88 DRD2 (1.00) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL1310960 0.88 DRD2 (1.00) DRD2DRD3HTR1AADRA2ADRD4
SCHEMBL30855316 0.88 DRD2 (1.00) DRD2DRD3HTR1AADRA2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242058-A Salt containing piperazine polycyclic derivative and crystal form, and preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-15 — — CN disclosed
CN-111770754-B Polycyclic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-09-19 — — CN disclosed
US-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-03-09 — — US disclosed
CN-115246801-A Free base crystal form containing piperazine polycyclic derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-10-28 — — CN disclosed
EP-4053110-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-07 — — EP disclosed
CN-113056454-A Quadricyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-06-29 — — CN disclosed
WO-2021083246-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2021-05-06 — — WO disclosed
CN-111770754-A Polycyclic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2020-10-13 — — CN disclosed
WO-2020156312-A1 POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-08-06 — — 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-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF GRM4, GRM5, GRIA4 DRD2 343/4885DRD3 367/4885HTR1A 75/4885

“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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