SCHEMBL22122425

SCHEMBL22122425

CC(CO)CN1CCOc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 3/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 1/20 0.39
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
RORC P51449 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3CA P42336 3/20 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
SCHEMBL31167486 0.79 PTGER3 (0.43) CYP1A2CYP3A4CYP2D6NFKB1HTR2A
SCHEMBL22122344 0.77 LMNA (0.38) CYP1A2CYP3A4LMNAPRMT5WDR77
SCHEMBL17525482 0.76 NPY5R (0.35) HTR2AHTR2CHTR2BGFERMAPT
SCHEMBL22128311 0.74 PIK3CD (0.34) CYP1A2CYP3A4CYP2D6NFKB1HTR2A
SCHEMBL22152224 0.74 CYP2D6 (0.42) CYP1A2CYP3A4CYP2D6NFKB1HTR2A
SCHEMBL22152226 0.74 CYP2D6 (0.42) CYP1A2CYP3A4CYP2D6NFKB1HTR2A
SCHEMBL21382876 0.73 LMNA (0.42) CYP1A2CYP3A4CYP2D6NFKB1HTR2A
SCHEMBL31688917 0.73 TSHR (0.40) LMNAMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL18136717 0.72 AR (0.47) CYP1A2CYP3A4LMNAMAPTHTT
SCHEMBL3793471 0.72 POLB (0.44) CYP2D6LMNAMAPTHTTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 EP disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 CN disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 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 (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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS CYP1A2 4750/4885CYP3A4 3890/4885CYP2D6 3953/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS CYP1A2 4750/4885CYP3A4 3890/4885CYP2D6 3953/4885

“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.