SCHEMBL25918375

SCHEMBL25918375

O=CC1CCC(c2cccc(Br)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC4 P56524 2/20 0.40
HTR2C P28335 4/20 0.38
HTR2A P28223 3/20 0.38
HTR2B P41595 3/20 0.38
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.36
KMO O15229 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL957833 0.85 KDM1A (0.55) KDM1ADRD2DRD1DRD4DRD5
SCHEMBL29427010 0.85 KDM1A (0.55) KDM1ADRD2DRD1DRD4DRD5
Iodide SCHEMBL5548757 0.83 KDM1A (0.53) KDM1ADRD2DRD1DRD4DRD5
Bicarbonate SCHEMBL1719108 0.80 HDAC4 (0.54) KDM1ADRD2DRD1DRD4DRD5
SCHEMBL8932658 0.79 HCRTR2 (0.40) DRD4HDAC4HTR2CHTR2AHTR2B
SCHEMBL2858394 0.79 HCRTR2 (0.40) DRD4HDAC4HTR2CHTR2AHTR2B
SCHEMBL5983355 0.79 SLC6A3 (0.43) DRD2DRD4DRD3ALDH1A1HTR2C
Formic Acid SCHEMBL27809683 0.79 DRD2 (0.48) KDM1ADRD2DRD1DRD4DRD5
SCHEMBL28710812 0.79 HTR2C (0.57) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6665053 0.78 HDAC2 (0.41) KDM1AHDAC2HDAC8RCOR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2023-08-01 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 (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-11713307-B2 Heteroaryl-biphenyl amides for the treatment of PD-L1 diseases CD274, PDCD1LG2, PDCD1 KDM1A 136/4885DRD2 1824/4885DRD1 1597/4885

“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.