SCHEMBL23901980

SCHEMBL23901980

CCCC(N)C(CC)COC(=O)CCSc1ccnc(N2CCC2)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.32
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30

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
SCHEMBL23901976 0.85 PKM (0.32) PDE1APDE1BPDE1C
SCHEMBL23902147 0.84 CYP3A4 (0.43) ACACBPDE1APDE1BPDE1C
SCHEMBL23901946 0.77 TSHR (0.41) —
SCHEMBL18319891 0.76 KMT2A (0.39) ACACB
SCHEMBL28775247 0.75 CYP3A4 (0.42) PDE1APDE1BPDE1C
SCHEMBL24151881 0.74 CYP3A4 (0.42) PDE1APDE1BPDE1C
SCHEMBL29187791 0.74 ALDH1A1 (0.40) ACACB
SCHEMBL23901922 0.73 THRB (0.38) —
SCHEMBL24151046 0.73 CYP3A4 (0.40) —
SCHEMBL24152572 0.73 CYP3A4 (0.40) PDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 — — US disclosed
EP-4129987-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-02-08 — — EP disclosed
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2021-11-18 — — US disclosed
WO-2021197452-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES 上海翰森生物医药科技有限公司 2021-10-07 — — 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 (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-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF PTPN11, PTPN1, PTPN7 ACACB 3811/4885PDE1A 398/4885PDE1B 248/4885
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 ACACB 3516/4885PDE1A 654/4885PDE1B 637/4885

“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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