SCHEMBL25639624

SCHEMBL25639624

CCCCC1CCCCCCC1CCCCN

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
CYP1A2 P05177 1/20 0.50
DPP4 P27487 1/20 0.44
DNM1 Q05193 8/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
POLB P06746 1/20 0.34

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
SCHEMBL24190070 0.94 SIGMAR1 (0.55) SIGMAR1CYP1A2DPP4DNM1MEN1
SCHEMBL19806839 0.89 DNM1 (0.48) SIGMAR1CYP1A2DPP4DNM1MEN1
SCHEMBL22260597 0.87 SIGMAR1 (0.67) SIGMAR1DNM1TSHREPHX1CA1
SCHEMBL19339159 0.85 CYP1A2 (0.50) SIGMAR1CYP1A2DPP4MEN1KMT2A
SCHEMBL23742068 0.84 SIGMAR1 (0.62) SIGMAR1DNM1MEN1KMT2ATSHR
SCHEMBL28286303 0.84 CYP1A2 (0.59) CYP1A2DPP4MEN1KMT2AALDH1A1
SCHEMBL27603789 0.82 CYP1A2 (0.52) SIGMAR1CYP1A2DPP4ALDH1A1TSHR
SCHEMBL11254008 0.82 CYP1A2 (0.52) SIGMAR1CYP1A2DPP4ALDH1A1TSHR
SCHEMBL28485961 0.82 CYP1A2 (0.50) CYP1A2DPP4MEN1KMT2AALDH1A1
SCHEMBL21844988 0.81 CYP1A2 (0.52) CYP1A2DPP4ALDH1A1CA1CA2

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-20230192712-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2023-06-22 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-20230192712-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 SIGMAR1 2741/4885CYP1A2 2965/4885DPP4 3362/4885

“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.