SCHEMBL22030239

SCHEMBL22030239

CCOC(=O)C=C1CC2(CCNCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
OPRM1 P35372 2/20 0.41
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 2/20 0.35
CASP1 P29466 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL22412934 0.85 ESR2 (0.41) ESR2OPRM1HPGDHSD17B10MAPK1
SCHEMBL22026249 0.84 KDM4E (0.41) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL5154874 0.80 ESR2 (0.55) ESR2OPRM1HPGDHSD17B10MAPK1
SCHEMBL27086625 0.78 HPGD (0.38) ESR2OPRM1HPGDHSD17B10MAPK1
SCHEMBL22263473 0.78 ALDH1A1 (0.39) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL28241606 0.76 ESR2 (0.44) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL27273922 0.76 ESR2 (0.44) ESR2HPGDHSD17B10MAPK1KDM4E
Trifluoroacetic Acid SCHEMBL30234310 0.76 KDM4E (0.36) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL16710261 0.76 KDM4E (0.45) ESR2HPGDHSD17B10MAPK1KDM4E
SCHEMBL2502784 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656782-B1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2021-12-22 EP disclosed
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-05-25 US disclosed
US-20200172573-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-06-04 US disclosed
EP-3656782-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2020-05-27 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-20200172573-A1 PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF VIP, NPPA, GRPR ESR2 2405/4885OPRM1 236/4885HPGD 1944/4885
US-11014964-B2 Peptide amide compound and preparation method and medical use thereof VIP, NPPA, GRPR ESR2 2405/4885OPRM1 236/4885HPGD 1944/4885

“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.