SCHEMBL4566291

SCHEMBL4566291

COc1ccccc1C1(C(N)=O)CCCCC1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA3 P22001 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL5538596 0.79 LMNA (0.40) HPGDALDH1A1LMNAL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL6926708 0.78 LMNA (0.40) HPGDALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4590444 0.72 SIGMAR1 (0.42) LMNASMN1; SMN2KMT2AMAPT
SCHEMBL447843 0.70 LMNA (0.55) LMNAL3MBTL1SMN1; SMN2KMT2APOLB
SCHEMBL10002496 0.68 LMNA (0.53) ALDH1A1LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL4566294 0.67 ALDH1A1 (0.40) HPGDALDH1A1L3MBTL1SMN1; SMN2ALOX15
Acetamide SCHEMBL28420284 0.67 HTT (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL30683848 0.67 L3MBTL1 (0.54) ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7457587 0.67 L3MBTL1 (0.54) ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL6470509 0.66 SLC6A9 (0.37)

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 HPGD 2413/4885ALDH1A1 4034/4885LMNA 1368/4885

“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.