SCHEMBL20201463

SCHEMBL20201463

CC(C)Cc1cncc(CC(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ESR1 P03372 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL2718827 0.85 NOS3 (0.42) NOS3NOS1NOS2ESR1FFAR4
SCHEMBL20201756 0.85 ESR1 (0.31) ESR1
SCHEMBL21533983 0.85
SCHEMBL19602407 0.77
SCHEMBL21100036 0.77 GABRA1 (0.35) NOS3NOS1NOS2ESR1
SCHEMBL21533858 0.76 NOS3 (0.32) NOS3NOS1NOS2ESR1
SCHEMBL21690799 0.74 KCNH2 (0.34) NOS3NOS1NOS2
SCHEMBL1913006 0.74 NOS3 (0.41) NOS3NOS1NOS2ESR1FFAR4
SCHEMBL1911600 0.74 CYP2D6 (0.32)
SCHEMBL22701664 0.73 NOS3 (0.34) NOS3NOS1NOS2ESR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 US disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 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 (2 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-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT NOS3 3701/4885NOS1 3884/4885NOS2 4244/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT NOS3 3701/4885NOS1 3884/4885NOS2 4244/4885

“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.