SCHEMBL23847788

SCHEMBL23847788

CC(C)NC(O)NCC1CCN(C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.33
▸ NAMPT P43490 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL23841785 0.82 NCF1 (0.40) NCF1NAMPTDRD2DRD3
SCHEMBL25658564 0.82 NCF1 (0.40) NCF1NAMPTDRD2DRD3
SCHEMBL13713090 0.82 NCF1 (0.40) NCF1NAMPTDRD2DRD3
SCHEMBL19098405 0.76 NCF1 (0.35) NCF1NAMPTDRD2DRD3
SCHEMBL19098393 0.73 TRPV3 (0.34) NCF1NAMPTDRD2DRD3
SCHEMBL23848106 0.73 NCF1 (0.43) NCF1NAMPT
SCHEMBL20621819 0.73 KCNH2 (0.36) NCF1DRD3
SCHEMBL105743 0.72 NCF1 (0.46) NCF1
SCHEMBL19098391 0.69 NCF1 (0.39) NCF1NAMPTDRD2DRD3
SCHEMBL20666080 0.69 MAPT (0.41) NAMPTDRD2DRD3

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-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 — — 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-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 NCF1 1845/4885NAMPT 397/4885DRD2 569/4885

“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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