SCHEMBL4566295

SCHEMBL4566295

COC1(c2ccccc2)CCCCC1(NC(C)=O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
AKR1C1 Q04828 1/20 0.36
HDAC4 P56524 2/20 0.36
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
ALOX15 P16050 1/20 0.33
KCNA3 P22001 1/20 0.33

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
SCHEMBL5538611 0.73 AKR1C1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1POLB
Hydrochloric Acid SCHEMBL6926723 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL13626300 0.69 POLB (0.61) ALDH1A1POLBAKR1C1HDAC4KDM4E
SCHEMBL11692509 0.67 POLB (0.60) ALDH1A1POLBAKR1C1HDAC4KDM4E
SCHEMBL4590449 0.66 MEN1 (0.40) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL20738594 0.66 POLB (0.61) ALDH1A1POLBAKR1C1HDAC4KDM4E
SCHEMBL2261830 0.65 AKR1C1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1POLB
SCHEMBL5987740 0.65 POLB (0.65) ALDH1A1MEN1KMT2APOLBAKR1C1
SCHEMBL4984844 0.64 SLC6A4 (0.38) ALDH1A1MEN1KMT2APOLBAKR1C1
SCHEMBL23382983 0.63 AKR1C1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1AKR1C1

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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I ALDH1A1 4034/4885MEN1 2191/4885KMT2A 3482/4885

“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.