SCHEMBL25062372

SCHEMBL25062372

O=CC(=O)C1(c2cccnc2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
AKR1C1 Q04828 1/20 0.42
P2RX7 Q99572 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD11B1 P28845 1/20 0.40
CNR2 P34972 1/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
IDO1 P14902 1/20 0.39
HDAC1 Q13547 1/20 0.39
VNN1 O95497 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC4 P56524 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9338162 0.82 AKR1C1 (0.65) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL30475673 0.81 ALDH1A1 (0.47) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL17896072 0.81 AKR1C1 (0.62) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL25062470 0.81 ALDH1A1 (0.47) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL89653 0.81 OPRM1 (0.47) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL27925690 0.80 ALDH1A1 (0.46) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL15823293 0.79 LMNA (0.47) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL3664975 0.79 LMNA (0.47) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL31091550 0.78 OPRM1 (0.47) ALDH1A1AKR1C1P2RX7LMNANPSR1
SCHEMBL15348892 0.78 OPRM1 (0.47) ALDH1A1AKR1C1P2RX7LMNANPSR1

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-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 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-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 ALDH1A1 1721/4885AKR1C1 3786/4885P2RX7 3929/4885

“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.