SCHEMBL20630809

SCHEMBL20630809

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ncc(C(F)(F)F)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.52
ATM Q13315 2/20 0.49
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
HTT P42858 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 3/20 0.48
PKM P14618 3/20 0.48
XBP1 P17861 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPRB P23467 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL20630526 0.88 SSTR3 (0.52) SSTR3ATMALDH1A1HPGDHTT
SCHEMBL4865249 0.86 SSTR3 (0.55) SSTR3ATMALDH1A1HPGDHTT
SCHEMBL1197175 0.86 SSTR3 (0.55) SSTR3ATMALDH1A1HPGDHTT
SCHEMBL22060193 0.85 SSTR3 (0.54) SSTR3ATMALDH1A1HPGDHTT
SCHEMBL1197108 0.85 SSTR3 (0.54) SSTR3ATMALDH1A1HPGDHTT
SCHEMBL390451 0.83 SSTR3 (0.52) SSTR3ATMALDH1A1HPGDHTT
SCHEMBL14738416 0.78 KMT2A (0.40) SSTR3ATMALDH1A1HSD17B10TSHR
SCHEMBL14738417 0.78 KMT2A (0.40) SSTR3ATMALDH1A1HSD17B10TSHR
SCHEMBL1197182 0.78 ALDH1A1 (0.52) SSTR3ATMALDH1A1HPGDHTT
SCHEMBL15875597 0.78 ALDH1A1 (0.52) SSTR3ATMALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R SSTR3 21/4885ATM 4401/4885ALDH1A1 4326/4885

“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.