SCHEMBL24939879

SCHEMBL24939879

O=C1NCC(=O)N2CCN(Cc3cn(CC4CCCCC4)c4ccccc34)CC12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.42
▸ PDE4B Q07343 5/20 0.42
▸ PDE4C Q08493 5/20 0.42
▸ PDE4D Q08499 5/20 0.42
▸ CNR1 P21554 5/20 0.40
▸ PADI4 Q9UM07 1/20 0.38
▸ CNR2 P34972 2/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ PRKACB P22694 1/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ ABCC2 Q92887 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC8 Q9BY41 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
SCHEMBL24939886 0.85 HTR6 (0.45) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL24939949 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL24939910 0.82 HTR6 (0.41) HTR6OPRM1OPRL1HDAC1HDAC8
SCHEMBL24939995 0.81 HDAC3 (0.42) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL24938955 0.81 LMNA (0.49) HDAC8HDAC6
SCHEMBL24939957 0.80 F10 (0.41) HTR6HDAC3HDAC1HDAC2HDAC10
SCHEMBL30337109 0.75 TSHR (0.47) OPRM1OPRK1OPRL1
SCHEMBL24938979 0.75 CACNB4 (0.43) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL23335001 0.74 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL24939934 0.73 CYP2D6 (0.56) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME HOLOSMEDIC (KR) 2023-01-19 — — 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 (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-20230019094-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 PDE4A 2339/4885PDE4B 977/4885PDE4C 1765/4885

“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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