SCHEMBL1252550

SCHEMBL1252550

CCOC(=O)CCCN(CC)c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ LMNA P02545 5/20 0.50
▸ USP2 O75604 2/20 0.50
▸ HPGD P15428 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GFER P55789 2/20 0.46
▸ TP53 P04637 3/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GPX4 P36969 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ HTT P42858 3/20 0.45

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
SCHEMBL16212493 0.94 SMN1; SMN2 (0.50) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL11506912 0.92 SMN1; SMN2 (0.50) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL8394139 0.91 ALDH1A1 (0.50) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL9654341 0.86 SMN1; SMN2 (0.52) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL2498213 0.86 SMN1; SMN2 (0.60) ALDH1A1LMNAUSP2HPGDMEN1
SCHEMBL2502591 0.86 MTNR1A (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL12061827 0.86 ALOX5 (0.48) MAPTALDH1A1LMNAUSP2SMN1; SMN2
SCHEMBL10906771 0.86 MAPT (0.49) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL8391475 0.85 ALDH1A1 (0.50) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL9651135 0.85 MAPT (0.46) MAPTALDH1A1LMNAUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627869-B1 Vanilloid receptor modulators AJINOMOTO KK (JP) 2012-05-02 — — EP disclosed
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 — — US disclosed
EP-2281823-A2 Anti-inflammatory and analgesic piperidine derivatives Ajinomoto Co., Inc. (JP) 2011-02-09 — — EP disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 — — US disclosed
US-7572815-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2009-08-11 — — US disclosed
US-20060128755-A1 Amide derivative AJINOMOTO CO. INC (JP) 2006-06-15 — — US disclosed
EP-1627869-A1 AMIDE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-02-22 — — EP 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-20060128755-A1 Amide derivative NR0B1, NR0B2, NR1I3 MAPT 4194/4885ALDH1A1 2684/4885LMNA 4454/4885
US-20090258900-A1 AMIDE DERIVATIVE NR0B1, NR0B2, NR1I3 MAPT 4315/4885ALDH1A1 2733/4885LMNA 4398/4885

“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.

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