SCHEMBL25937262

SCHEMBL25937262

CC[C@@H]1CC[C@@H](Oc2cc(F)c(C)cc2Br)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.34
KDM1A O60341 4/20 0.33
S1PR5 Q9H228 1/20 0.33
KDM1B Q8NB78 1/20 0.33
AR P10275 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
IKBKB O14920 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
SCHEMBL25937253 0.82 MCHR1 (0.36) SCDKDM1AKDM1BAR
SCHEMBL25937271 0.75 HTR2C (0.32)
SCHEMBL25937265 0.74 HTR2A (0.33) KDM1A
SCHEMBL9896972 0.74 SCN9A (0.36) KDM1AKDM1B
SCHEMBL30901253 0.70 SCD (0.55) SCDKDM1AKDM1BARPOLB
SCHEMBL21955116 0.70 SCD (0.55) SCDKDM1AKDM1BARPOLB
SCHEMBL25937264 0.70 S1PR5 (0.31) S1PR5
SCHEMBL25937266 0.70 HTR2C (0.36)
SCHEMBL25938700 0.69 BTK (0.42) KDM1AS1PR5AR
SCHEMBL25937293 0.69 S1PR4 (0.37) KDM4E

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 SCD 2737/4885KDM1A 1547/4885S1PR5 2394/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 SCD 2737/4885KDM1A 1547/4885S1PR5 2394/4885

“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.