SCHEMBL21533894

SCHEMBL21533894

CC(C)(C)c1cc(CC(C)(C)c2ccc(F)c(OC(C)(C)C3CC3)c2)c(F)c(OC[C@@H]2CCCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 5/20 0.38
▸ CHRNA3 P32297 5/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ KCNN4 O15554 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35

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
SCHEMBL21324922 0.80 CHRNB4 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL21324932 0.80 CHRNB4 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL21325080 0.73 CA1 (0.35) —
SCHEMBL20393748 0.68 TRPV1 (0.35) KCNN4
SCHEMBL20351583 0.68 SCN9A (0.34) —
SCHEMBL20201668 0.67 CHRNB2 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL20201654 0.67 CHRNB2 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4SLC6A2
SCHEMBL22548331 0.67 HTR2C (0.36) —
SCHEMBL29303917 0.66 LTA4H (0.63) CHRNB4CHRNA3LTA4H
SCHEMBL10326838 0.66 LTA4H (0.63) CHRNB4CHRNA3LTA4H

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-11014924-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-05-25 — — US disclosed
US-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 — — 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 (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-20190330210-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS DUT, TYMP, DPYD CHRNB4 4783/4885CHRNA3 4767/4885CHRNB2 4711/4885
US-11014924-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD CHRNB4 4783/4885CHRNA3 4767/4885CHRNB2 4711/4885

“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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