SCHEMBL25937260

SCHEMBL25937260

C[C@H]1CC[C@@H](Oc2ccc(F)c(F)c2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
KDM1A O60341 2/20 0.31
CYP19A1 P11511 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
SCHEMBL25937272 1.00 MCHR1 (0.40) MCHR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL25937261 0.85 MCHR1 (0.39) MCHR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL25937273 0.85 MCHR1 (0.39) MCHR1SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL25937265 0.81 HTR2A (0.33) SLC6A4SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL25937270 0.77 MCHR1 (0.36) MCHR1SLC6A4HTR2CHTR2B
SCHEMBL25937275 0.77 MCHR1 (0.36) MCHR1SLC6A4HTR2CHTR2B
SCHEMBL25937331 0.74 MCHR1 (0.50) MCHR1
SCHEMBL25937333 0.73 MCHR1 (0.49) MCHR1SLC6A4SLC6A2SLC6A3CYP19A1
SCHEMBL25937256 0.72 MCHR1 (0.39) MCHR1CYP19A1
SCHEMBL25937253 0.72 MCHR1 (0.36) MCHR1HTR2CHTR2BKDM1A

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 4279/4885SLC6A4 4862/4885SLC6A2 4844/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MCHR1 4279/4885SLC6A4 4862/4885SLC6A2 4844/4885

“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.