SCHEMBL22804382

SCHEMBL22804382

O=C(O)N1CC2(CCCN(c3ccc(Br)cc3)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.52
CYP2C19 P33261 9/20 0.52
HIF1A Q16665 3/20 0.52
USP2 O75604 11/20 0.51
CYP1A2 P05177 8/20 0.51
CYP2C9 P11712 8/20 0.51
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
HSD17B10 Q99714 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALOX15 P16050 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.48
TSHR P16473 5/20 0.48
CYP2D6 P10635 2/20 0.47

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
SCHEMBL22804781 0.91 CYP3A4 (0.51) CYP3A4CYP2C19HIF1AUSP2CYP1A2
SCHEMBL22804370 0.81 CYP3A4 (0.47) CYP3A4CYP2C19HIF1AUSP2CYP1A2
SCHEMBL22804696 0.81 CYP2C19 (0.57) CYP3A4CYP2C19HIF1AUSP2CYP1A2
SCHEMBL22804442 0.76 CYP3A4 (0.50) CYP3A4CYP2C19HIF1AUSP2CYP1A2
SCHEMBL22805291 0.74 AKR1C3 (0.58) USP2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2819013 0.73 MEN1 (0.78) CYP3A4CYP2C19HIF1AUSP2CYP1A2
SCHEMBL5015647 0.73 AKR1C3 (0.65) CYP2C19USP2CYP2C9ALDH1A1MEN1
SCHEMBL23199735 0.73 AKR1C3 (0.42) CYP3A4CYP2C19USP2CYP1A2ALDH1A1
SCHEMBL31237127 0.72 TSHR (0.44) CYP3A4CYP2C19HIF1AUSP2CYP1A2
SCHEMBL22396274 0.71 USP2 (0.62) CYP3A4CYP2C19HIF1AUSP2CYP1A2

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-3986896-B1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2023-02-23 US disclosed
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 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-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, ERBB2, ERBB3 CYP3A4 3752/4885CYP2C19 1096/4885HIF1A 3579/4885

“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.