SCHEMBL25260366

SCHEMBL25260366

COc1cc(N2CCC(N3CCN(C(=O)OCc4ccccc4)CC3)CC2)c(C)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49
TMEM97 Q5BJF2 7/20 0.47
SIGMAR1 Q99720 7/20 0.47
HTR1A P08908 2/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
ADRA2C P18825 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 3/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL31204328 0.90 TMEM97 (0.46) SMN1; SMN2GAAALOX12TMEM97SIGMAR1
SCHEMBL25305594 0.88 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19CHRM4
SCHEMBL310249 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GAAALOX12TMEM97SIGMAR1
SCHEMBL520893 0.85 SIGMAR1 (0.57) SMN1; SMN2TMEM97SIGMAR1HTR1AHRH2
SCHEMBL25305214 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TMEM97SIGMAR1NPC1RAB9A
SCHEMBL24204769 0.82 GAA (0.45) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL30936906 0.82 GAA (0.45) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL25875018 0.79 KDM4E (0.44) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL310278 0.78 TMEM97 (0.46) SMN1; SMN2TMEM97SIGMAR1HTR1AHRH2
SCHEMBL520758 0.77 SIGMAR1 (0.54) SMN1; SMN2TMEM97SIGMAR1HTR1AHRH2

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
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
CN-116490184-A Compounds for inhibiting EGFR mutant cancers and pharmaceutical uses thereof J2H生物科技有限公司 2023-07-25 CN disclosed
EP-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 EP 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-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF EGFR, KRAS, ERBB2 SMN1; SMN2 4518/4885GAA 1018/4885ALOX12 4639/4885

“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.