SCHEMBL25260697

SCHEMBL25260697

COc1cc(N2CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 13/20 0.49
SIGMAR1 Q99720 13/20 0.49
HRH1 P35367 4/20 0.48
HRH3 Q9Y5N1 4/20 0.48
HRH2 P25021 3/20 0.48
HTR1A P08908 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
DRD1 P21728 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ADRB1 P08588 1/20 0.48

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
SCHEMBL1291301 0.88 TMEM97 (0.57) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL25261558 0.87 MAPT (0.54) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL25307456 0.86 MAPT (0.50) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL30497505 0.86 MAPT (0.50) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL25305214 0.86 SMN1; SMN2 (0.47) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL520893 0.83 SIGMAR1 (0.57) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL26496157 0.83 HTR4 (0.47) CHRM1
SCHEMBL31701044 0.83 GPR119 (0.47)
SCHEMBL25305594 0.82 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL2207475 0.80 GAA (0.46) HTR1A

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 5 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
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 TMEM97 803/4885SIGMAR1 2713/4885HRH1 3833/4885

“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.