SCHEMBL30643153

SCHEMBL30643153

CN(C)Cc1ccc(Br)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 4/20 0.63
CCR5 P51681 1/20 0.50
SLC6A4 P31645 8/20 0.43
SLC6A2 P23975 6/20 0.43
SLC6A3 Q01959 5/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL10076566 0.82 SLC6A4 (0.54) PYCR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL24365508 0.81 TAAR1 (0.56) PYCR1CCR5SLC6A4ALDH1A1KDM4E
SCHEMBL16553471 0.79 PYCR1 (0.61) PYCR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL11452260 0.78 PYCR1 (0.51) PYCR1CCR5SLC6A4ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8648703 0.78 PYCR1 (0.59) PYCR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL27471130 0.77 PYCR1 (0.51) PYCR1CCR5SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL257075 0.77 PYCR1 (0.50) PYCR1SLC6A4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3197622 0.76 SLC6A4 (0.54) PYCR1SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL21419342 0.76 PYCR1 (0.63) PYCR1CCR5SLC6A4SLC6A2SLC6A3
SCHEMBL16621211 0.76 SLC6A4 (0.50) PYCR1CCR5SLC6A4SLC6A2SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519267-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-03-12 EP disclosed
US-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-02-27 US disclosed
CN-119156389-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-12-17 CN disclosed
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 WO 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-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CDK1, CDK2, CDK4 PYCR1 2773/4885CCR5 4519/4885SLC6A4 3528/4885

“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.