SCHEMBL25937243

SCHEMBL25937243

Cc1ccc(O[C@@H]2CC[C@@H](C)C2)c(I)c1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.39
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
CYP19A1 P11511 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
SCHEMBL25937256 1.00 MCHR1 (0.39) MCHR1GRIN1GRIN2BCYP19A1
SCHEMBL25937264 0.82 S1PR5 (0.31)
SCHEMBL16923207 0.78 MCHR1 (0.40) MCHR1GRIN1GRIN2B
SCHEMBL16923010 0.78 MCHR1 (0.40) MCHR1GRIN1GRIN2B
SCHEMBL15696647 0.76 MCHR1 (0.44) MCHR1
SCHEMBL16922991 0.74 MCHR1 (0.38) MCHR1GRIN1GRIN2B
SCHEMBL24978468 0.72 KDM1A (0.40)
SCHEMBL24977576 0.72 KDM1A (0.40)
SCHEMBL25937272 0.72 MCHR1 (0.40) MCHR1CYP19A1
SCHEMBL25937260 0.72 MCHR1 (0.40) MCHR1CYP19A1

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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 MCHR1 4279/4885GRIN1 4114/4885GRIN2B 4709/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MCHR1 4279/4885GRIN1 4114/4885GRIN2B 4709/4885

“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.