SCHEMBL29273302

SCHEMBL29273302

CN1CCC[C@H]1C(O)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.40
CHRNA3 P32297 6/20 0.40
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.31

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
SCHEMBL29273300 1.00 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4L3MBTL3
SCHEMBL25650396 0.81 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4L3MBTL3
SCHEMBL27455947 0.78
SCHEMBL14930351 0.78
SCHEMBL19931584 0.78
SCHEMBL18270966 0.78
SCHEMBL8339817 0.78
SCHEMBL20879730 0.78
SCHEMBL23925978 0.76
SCHEMBL14401610 0.76

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-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2025-05-22 US disclosed
CN-118339153-A Heteroaromatic compounds for the treatment of cancer 勃林格殷格翰国际有限公司 2024-07-12 CN 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-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER NRAS, KRAS, RB1 CHRNB4 2410/4885CHRNA3 2982/4885CHRNB2 3196/4885

“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.