SCHEMBL25979304

SCHEMBL25979304

O=C(NOI)c1ccc(CN(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
GFER P55789 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC1 Q13547 1/20 0.41
POLB P06746 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
SLC6A7 Q99884 1/20 0.41

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
SCHEMBL16211296 0.92 ALDH1A1 (0.42) CYP3A4CYP2D6HTR1AADRA1AALDH1A1
SCHEMBL16211294 0.89 ALDH1A1 (0.48) CYP3A4CYP2D6HTR1AADRA1AALDH1A1
SCHEMBL25980756 0.88 OPRM1 (0.41) CYP3A4CYP2D6HTR1AALDH1A1MEN1
SCHEMBL25980746 0.86 TSHR (0.46) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL25979317 0.86 TSHR (0.46) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL25979330 0.86 TSHR (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL25979283 0.86 SMN1; SMN2 (0.46) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL25979288 0.85 CYP2D6 (0.56) CYP3A4CYP2D6HTR1AADRA1AALDH1A1
SCHEMBL25979342 0.85 POLB (0.44) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL25980655 0.84 TSHR (0.42) CYP3A4CYP2D6HTR1AADRA1AALDH1A1

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 CYP3A4 1676/4885CYP2D6 1618/4885HTR1A 3822/4885

“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.