SCHEMBL26501809

SCHEMBL26501809

CN1CCCC1C(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.35
ELANE P08246 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
SCHEMBL12733396 1.00 CYP3A4 (0.50) CYP3A4CYP2D6LMNAPOLBL3MBTL1
SCHEMBL12788948 0.94 CYP3A4 (0.45) CYP3A4CYP2D6LMNAPOLBL3MBTL1
SCHEMBL15120134 0.94 CYP3A4 (0.45) CYP3A4CYP2D6LMNAPOLBL3MBTL1
SCHEMBL21393880 0.90 LMNA (0.41) CYP3A4CYP2D6LMNAPOLBL3MBTL1
SCHEMBL15373850 0.90 LMNA (0.41) CYP3A4CYP2D6LMNAPOLBL3MBTL1
SCHEMBL12733414 0.82 POLB (0.58) CYP3A4CYP2D6LMNAPOLBALDH1A1
SCHEMBL12733429 0.82 CYP3A4 (0.46) CYP3A4CYP2D6LMNAPOLBSMN1; SMN2
SCHEMBL12733413 0.82 CYP3A4 (0.46) CYP3A4CYP2D6LMNAPOLBSMN1; SMN2
SCHEMBL12733464 0.82 CYP3A4 (0.46) CYP3A4CYP2D6LMNAPOLBSMN1; SMN2
SCHEMBL12733469 0.82 CYP3A4 (0.46) CYP3A4CYP2D6LMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 US disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 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-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNK3 CYP3A4 465/4885CYP2D6 670/4885LMNA 2214/4885

“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.