SCHEMBL22804370

SCHEMBL22804370

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.47
CYP2C9 P11712 5/20 0.47
ALDH1A1 P00352 5/20 0.47
USP2 O75604 5/20 0.47
CYP1A2 P05177 4/20 0.47
HIF1A Q16665 4/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C19 P33261 6/20 0.47
TSHR P16473 3/20 0.47
EIF2AK4 Q9P2K8 2/20 0.47
CYP2D6 P10635 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
RORC P51449 2/20 0.44
ESRRB O95718 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL22804442 0.93 CYP3A4 (0.50) CYP3A4CYP2C9ALDH1A1USP2CYP1A2
SCHEMBL21877081 0.87 RORC (0.47) CYP3A4ALDH1A1USP2HSD17B10CYP2C19
SCHEMBL21963775 0.87 CYP11B2 (0.52) CYP3A4CYP2C9ALDH1A1USP2CYP1A2
SCHEMBL23539079 0.86 GPR119 (0.49) CYP3A4CYP2C9ALDH1A1USP2CYP1A2
SCHEMBL30990690 0.86 CYP3A4 (0.49) CYP3A4CYP2C9ALDH1A1USP2CYP1A2
SCHEMBL22805048 0.84 CYP3A4 (0.55) CYP3A4CYP2C9ALDH1A1USP2CYP1A2
SCHEMBL30769248 0.83 CYP11B2 (0.55) CYP3A4CYP2C9ALDH1A1CYP1A2HIF1A
SCHEMBL31276408 0.81 NPSR1 (0.51) CYP3A4CYP2C9ALDH1A1USP2CYP1A2
SCHEMBL22804382 0.81 CYP3A4 (0.52) CYP3A4CYP2C9ALDH1A1USP2CYP1A2
SCHEMBL25164880 0.81 CYP3A4 (0.65) CYP3A4CYP2C9ALDH1A1USP2CYP1A2

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-12479849-B2 EGFR inhibitors for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-11-25 US disclosed
CN-113993872-B EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2024-09-24 CN disclosed
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
CN-113993872-A EGFR inhibitors for the treatment of cancer 豪夫迈·罗氏有限公司 2022-01-28 CN 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 (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-20230054473-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, ERBB2, ERBB3 CYP3A4 3752/4885CYP2C9 1323/4885ALDH1A1 3894/4885
US-12479849-B2 EGFR inhibitors for the treatment of cancer EGFR, ERBB2, ERBB3 CYP3A4 3802/4885CYP2C9 1498/4885ALDH1A1 4090/4885

“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.