SCHEMBL24310465

SCHEMBL24310465

CN1CC=C(c2ccc(O)c(Cl)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QDPR P09417 5/20 0.75
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46

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
SCHEMBL29567164 1.00 QDPR (0.75) QDPRCDK4CCND1CCNB2CDK1
SCHEMBL29566914 0.88 QDPR (0.75) QDPRCDK4CCND1CCNB2CDK1
SCHEMBL24309677 0.88 QDPR (0.75) QDPRCDK4CCND1CCNB2CDK1
SCHEMBL7744453 0.86 QDPR (1.00) QDPR
SCHEMBL19107630 0.83 QDPR (0.77) QDPR
SCHEMBL8382547 0.79 QDPR (1.00) QDPRCDK4CCND1
SCHEMBL6043136 0.79 QDPR (0.68) QDPRCDK4CCND1CCNB2CDK1
SCHEMBL8382616 0.79 QDPR (1.00) QDPR
SCHEMBL14923997 0.76 QDPR (0.64) QDPR
SCHEMBL11558057 0.75 QDPR (0.56) QDPRCDK4CCND1CCNB2CDK1

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B QDPR 1331/4885CDK4 4358/4885CCND1 4812/4885

“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.