SCHEMBL19098393

SCHEMBL19098393

CC(C)C(CO)NCC1CCN(C)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 8/20 0.34
▸ NCF1 P14598 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHRM3 P20309 2/20 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
SCHEMBL19098399 0.84 TRPV3 (0.33) TRPV3
SCHEMBL19083166 0.84 TRPV3 (0.33) TRPV3
SCHEMBL19098405 0.83 NCF1 (0.35) NCF1NAMPTKMT2ACHRM3DRD2
SCHEMBL19122465 0.83 CHRM3 (0.34) TRPV3MEN1KMT2ACHRM3DRD2
SCHEMBL23841785 0.78 NCF1 (0.40) NCF1NAMPTMEN1MITFKMT2A
SCHEMBL25658564 0.78 NCF1 (0.40) NCF1NAMPTMEN1MITFKMT2A
SCHEMBL13713090 0.78 NCF1 (0.40) NCF1NAMPTMEN1MITFKMT2A
SCHEMBL23025166 0.77 TRPV3 (0.38) TRPV3
SCHEMBL23275869 0.77 TRPV3 (0.38) TRPV3
SCHEMBL23847788 0.73 NCF1 (0.33) NCF1NAMPTDRD2DRD3

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
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 — — WO disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 — — 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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 TRPV3 2843/4885NCF1 3397/4885NAMPT 861/4885

“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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