SCHEMBL4847536

SCHEMBL4847536

CCCN(CC(=O)OCC)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.47
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIN1 Q13526 1/20 0.45
PPID Q08752 1/20 0.44
BCHE P06276 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL20506778 0.92 ALDH1A1 (0.49) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL3184733 0.92 ALDH1A1 (0.54) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL254781 0.91 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL4321470 0.90 SMN1; SMN2 (0.51) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL8723387 0.90 LMNA (0.50) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL22151785 0.88 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL29151455 0.88 ALOX5 (0.47) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL13541712 0.88 L3MBTL1 (0.51) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL6659347 0.87 ALOX5 (0.59) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
Hydrochloric Acid SCHEMBL9237959 0.87 ALDH1A1 (0.45) ALDH1A1HSD17B10LMNAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446204-B2 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-11-04 US disclosed
EP-1804796-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-07-11 EP disclosed
WO-2006041636-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.LUNDBECK A/S (DK) 2006-04-20 WO disclosed
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 US disclosed
US-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S 2006-04-13 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 (2 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-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R RORC 401/4885ALDH1A1 446/4885HSD17B10 713/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R RORC 431/4885ALDH1A1 444/4885HSD17B10 758/4885

“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.