SCHEMBL25937246

SCHEMBL25937246

Cc1cccc(Br)c1O[C@@H]1CC[C@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
HTR1A P08908 4/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 1/20 0.34
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
CYP19A1 P11511 1/20 0.31
CXCR5 P32302 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
SCHEMBL25937248 0.83 SLC6A2 (0.40) MCHR1HTR1ASLC6A2SLC6A4
SCHEMBL25937250 0.83 MCHR1 (0.40) MCHR1HTR1ASLC6A2SLC6A4CYP19A1
SCHEMBL25937331 0.69 MCHR1 (0.50) MCHR1ALDH1A1
SCHEMBL15627269 0.68 SLC6A4 (0.60) MCHR1SLC6A2SLC6A4ALDH1A1
SCHEMBL25937333 0.68 MCHR1 (0.49) MCHR1SLC6A2SLC6A4ALDH1A1CYP19A1
SCHEMBL13450146 0.67 SLC6A2 (0.53) MCHR1HTR1ASLC6A2SLC6A4
SCHEMBL25937253 0.67 MCHR1 (0.36) MCHR1
SCHEMBL1423618 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL24697655 0.66 SLC6A2 (0.46) HTR1ASLC6A2SLC6A4
SCHEMBL2824173 0.66 KMT2A (0.33) HTR1ASLC6A2

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 4279/4885HTR1A 4522/4885SLC6A2 4844/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 MCHR1 4279/4885HTR1A 4522/4885SLC6A2 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.