SCHEMBL23134084

SCHEMBL23134084

CC1CCC(CC2CCN(C(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.42
▸ KCNH2 Q12809 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ ACHE P22303 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL12890856 0.91 HRH3 (0.43) HRH3KCNH2
SCHEMBL25480233 0.89 HRH3 (0.44) HRH3KCNH2
SCHEMBL22565447 0.86 HRH3 (0.38) HRH3KCNH2
SCHEMBL24501875 0.81 HRH3 (0.40) HRH3KCNH2
SCHEMBL8364993 0.81 HRH3 (0.40) HRH3KCNH2ACHESIGMAR1
SCHEMBL24671761 0.81 NCF1 (0.46) HRH3KCNH2ACHE
SCHEMBL105496 0.79 ALDH1A1 (0.41) HRH3KCNH2ACHESIGMAR1
SCHEMBL4034418 0.78 HRH3 (0.41) HRH3KCNH2SIGMAR1
SCHEMBL330763 0.76 ACHE (0.33) ACHE
SCHEMBL23484949 0.76 ACHE (0.60) HRH3ACHE

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 2 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-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 — — 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 HRH3 531/4885KCNH2 1418/4885OPRK1 923/4885

“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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