SCHEMBL24671761

SCHEMBL24671761

CC(C)N1CCC(CC2CCN(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.46
▸ HRH3 Q9Y5N1 13/20 0.40
▸ ACHE P22303 4/20 0.36
▸ KCNH2 Q12809 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ SLC6A4 P31645 2/20 0.32

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
SCHEMBL25480233 0.91 HRH3 (0.44) NCF1HRH3KCNH2
SCHEMBL25569155 0.90 NCF1 (0.42) NCF1HRH3ACHEHRH4SLC6A4
SCHEMBL12890856 0.89 HRH3 (0.43) HRH3KCNH2
SCHEMBL757866 0.83 NCF1 (0.62) NCF1HRH3ACHEHRH4
SCHEMBL25630382 0.83 NCF1 (0.43) NCF1HRH3ACHE
SCHEMBL24501875 0.83 HRH3 (0.40) HRH3KCNH2
SCHEMBL27323580 0.83 HRH3 (0.40) HRH3KCNH2
SCHEMBL8364993 0.83 HRH3 (0.40) HRH3ACHEKCNH2
SCHEMBL23134084 0.81 HRH3 (0.42) HRH3ACHEKCNH2
SCHEMBL16304071 0.79 GNAI3 (0.39) NCF1HRH3ACHEKCNH2

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-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives NOVARTIS AG (CH) 2023-12-14 — — US disclosed
WO-2023220640-A1 CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-11-16 — — WO disclosed
WO-2023069514-A2 BIFUNCTIONAL COMPOUNDS FOR DEGRADING ITK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2023-04-27 — — WO disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — 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-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives PAH, PKD1, REN NCF1 3314/4885HRH3 531/4885ACHE 4453/4885

“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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