SCHEMBL25720574

SCHEMBL25720574

Cn1c(=O)n(CC2CCNCC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
PIK3CA P42336 1/20 0.47
PRKDC P78527 1/20 0.47
CRHR1 P34998 3/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PARG Q86W56 3/20 0.44
AGER Q15109 1/20 0.43
SLC6A4 P31645 1/20 0.42
HTR4 Q13639 1/20 0.42

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
SCHEMBL2680469 0.89 CYP1A2 (0.54) CYP1A2CRHR1CRHR2ALDH1A1NPC1
SCHEMBL12434372 0.85 PARG (0.54) CYP1A2CRHR1CRHR2ALDH1A1NPC1
SCHEMBL11247925 0.83 BRD4 (0.52) CYP1A2KMT2APARG
Hydrochloric Acid SCHEMBL2264513 0.81 CRHR1 (0.47) CYP1A2CRHR1CRHR2ALDH1A1NPC1
SCHEMBL11949817 0.76 CRHR1 (0.51) CRHR1CRHR2ALDH1A1TSHRMEN1
SCHEMBL3633938 0.75 OPRL1 (0.61) ALDH1A1
SCHEMBL13075558 0.75 CYP1A2 (0.49) CYP1A2ALDH1A1NPC1TSHRMEN1
Hydrochloric Acid SCHEMBL11512078 0.74 SLC6A2 (0.45) CYP1A2ALDH1A1NPC1TSHRMEN1
SCHEMBL25720568 0.74 OPRD1 (0.48) CRHR1CRHR2ALDH1A1
SCHEMBL2986176 0.74 DDB1 (0.54) PIK3CAPRKDCSLC6A4

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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 CYP1A2 1172/4885PIK3CA 2967/4885PRKDC 2398/4885

“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.