SCHEMBL25979288

SCHEMBL25979288

COc1ccccc1N1CCN(C(=O)N(Cc2ccc(C(=O)NOI)cc2)c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
HTR1A P08908 2/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA1A P35348 1/20 0.56
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
MTOR P42345 1/20 0.55
RAB9A P51151 1/20 0.55
HIF1A Q16665 1/20 0.55
DRD4 P21917 1/20 0.51

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
SCHEMBL16211625 0.92 CYP2D6 (0.54) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL16211821 0.90 CYP2D6 (0.56) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL25979330 0.85 TSHR (0.44) MEN1ALDH1A1KMT2ATSHR
SCHEMBL25979304 0.85 CYP3A4 (0.43) CYP2D6HTR1ACYP3A4ADRA1AMEN1
SCHEMBL25979342 0.85 POLB (0.44) CYP2D6CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL25979317 0.84 TSHR (0.46) CYP2D6CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL25980746 0.84 TSHR (0.46) CYP2D6CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL25979283 0.83 SMN1; SMN2 (0.46) CYP2D6CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL25980729 0.82 TSHR (0.41) CYP2D6CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL25980756 0.82 OPRM1 (0.41) CYP2D6HTR1ACYP3A4MEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-10 US 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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) NR1H2, CFTR, CYP11B2 CYP2D6 1618/4885HTR1A 3822/4885CYP3A4 1676/4885

“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.