SCHEMBL22804306

SCHEMBL22804306

CN(CCN(C)c1ccc(I)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TPMT P51580 1/20 0.38
APP P05067 4/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
MMP14 P50281 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CAPN1 P07384 1/20 0.34
CAPN2 P17655 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL17472947 0.79 MMP14 (0.55) L3MBTL1APPMMP14
SCHEMBL2549477 0.78 APP (0.42) APPHTR2AHTR2CSLC6A4
SCHEMBL29602667 0.77 GBA1 (0.42) L3MBTL1APPHTR2CSLC6A4NPC1
SCHEMBL9632043 0.77 TPMT (0.40) L3MBTL1TPMTAPPCA12CA9
SCHEMBL20004504 0.76 L3MBTL1 (0.46) L3MBTL1APPNPC1RAB9A
SCHEMBL23275292 0.75 RAB9A (0.50) NPC1RAB9ACA12CA9
SCHEMBL2097717 0.74 TPMT (0.44) TPMTAPPNPC1RAB9A
SCHEMBL19086438 0.74 POLB (0.37) TPMTHTR2AHTR2CNPC1RAB9A
SCHEMBL19086409 0.73 PDE1A (0.50)
SCHEMBL29426388 0.72 APP (0.41) APP

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 L3MBTL1 2578/4885TPMT 2122/4885APP 4852/4885

“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.