SCHEMBL5963579

SCHEMBL5963579

COc1ccc(CC(=O)NC2(C(C)=O)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ MAPT P10636 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GLS O94925 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CTSK P43235 1/20 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
SCHEMBL3175750 0.81 EPHX2 (0.56) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL3172394 0.80 EPHX2 (0.54) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL5964054 0.80 EPHX2 (0.54) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL14370433 0.75 MEN1 (0.41) HTTALDH1A1KMT2AMEN1LMNA
SCHEMBL23567195 0.74 MAPT (0.47) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL10937020 0.74 MAPT (0.59) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL5862047 0.73 HTT (0.55) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL23242488 0.73 CTSB (0.44) HTTMAPTALDH1A1CYP2D6LMNA
SCHEMBL3454750 0.71 EPHX2 (1.00) EPHX2HTTMAPTALDH1A1KMT2A
SCHEMBL5049577 0.71 EPHX2 (1.00) EPHX2HTTMAPTALDH1A1KMT2A

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-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 — — US disclosed
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 — — EP disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 2004-03-25 — — US disclosed
EP-1326851-A1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2003-07-16 — — EP disclosed
WO-2002032888-A1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2002-04-25 — — WO 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-20040058971-A1 Substituted dipeptides as growth hormone secretagogues GHSR, GHRHR, SSTR4 EPHX2 4238/4885HTT 1361/4885MAPT 4452/4885

“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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