SCHEMBL22804336

SCHEMBL22804336

COC(=O)C1CN(c2ccc(Br)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 1/20 0.48
MAPT P10636 2/20 0.47
MMP2 P08253 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA12 O43570 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
GAA P10253 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 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
SCHEMBL17326843 0.85 NAMPT (0.49) ALDH1A1SMN1; SMN2NAMPTMAPTCA1
SCHEMBL16610843 0.84 MAPT (0.66) ALDH1A1HTTSMN1; SMN2MAPTUSP2
SCHEMBL3713571 0.83 NAMPT (0.48) ALDH1A1HTTSMN1; SMN2NAMPTMAPT
SCHEMBL20840854 0.83 NOTUM (0.54) ALDH1A1HTTSMN1; SMN2NAMPTMAPT
SCHEMBL25603132 0.83 NOTUM (0.53) ALDH1A1HTTSMN1; SMN2NAMPTMAPT
SCHEMBL18580977 0.81 SLC6A4 (0.42) ALDH1A1HTTSMN1; SMN2NAMPTCA1
SCHEMBL12613419 0.81 NAMPT (0.46) ALDH1A1NAMPTMAPTCA1CA2
SCHEMBL12613945 0.81 NAMPT (0.46) ALDH1A1SMN1; SMN2NAMPTMAPTCA1
SCHEMBL17322965 0.81 S1PR1 (0.50) ALDH1A1HTTNAMPTMAPTSLC6A2
SCHEMBL23538811 0.80 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2MAPTCA1

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 ALDH1A1 3894/4885HTT 4637/4885SMN1; SMN2 4844/4885
US-12479849-B2 EGFR inhibitors for the treatment of cancer EGFR, ERBB2, ERBB3 ALDH1A1 4090/4885HTT 4222/4885SMN1; SMN2 4809/4885

“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.