SCHEMBL21874209

SCHEMBL21874209

COc1ccc(C2(O)CCCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
SLC6A3 Q01959 6/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
OPRM1 P35372 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54
OPRL1 P41146 2/20 0.54
HRH3 Q9Y5N1 4/20 0.50
HSD11B1 P28845 1/20 0.49
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC6A2 P23975 4/20 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
SCHEMBL28970495 1.00 SLC6A4 (0.54) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL28970493 1.00 SLC6A4 (0.54) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL29151340 1.00 SLC6A4 (0.54) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL2778410 1.00 SLC6A4 (0.54) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL28970507 1.00 SLC6A4 (0.54) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL29151325 1.00 SLC6A4 (0.54) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL12317609 0.98 OPRM1 (0.55) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL10319703 0.94 OPRM1 (0.55) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B
SCHEMBL31556366 0.83 HRH3 (0.49) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL18244775 0.82 OPRM1 (0.53) SLC6A4SLC6A3GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806488-A Method for ring-opening allylation of cycloalkanol 南京工业大学 2023-03-17 CN disclosed
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 SLC6A4 3517/4885SLC6A3 3413/4885GRIN1 735/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 SLC6A4 3517/4885SLC6A3 3413/4885GRIN1 735/4885

“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.