SCHEMBL18361237

SCHEMBL18361237

COC(=O)c1ccc(OC2CCN(CC(C)(C)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ADRB2 P07550 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
EPHX2 P34913 2/20 0.46
FAAH O00519 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL24214131 0.88 EPHX2 (0.51) KMT2AADRB2MEN1LMNAEPHX2
SCHEMBL18361240 0.87 SRD5A1 (0.51) KMT2AADRB2MEN1LMNAMAPT
SCHEMBL25933643 0.84 HRH3 (0.58) KMT2AADRB2MEN1LMNAMAPT
SCHEMBL18361355 0.82 OPRK1 (0.56) KMT2AADRB2MEN1LMNAEPHX2
SCHEMBL14862603 0.80 HRH3 (0.46) POLBHRH3
SCHEMBL3458256 0.80 SCN1A (0.56) KMT2AMEN1LMNAEPHX2FAAH
SCHEMBL16147114 0.79 EPHX2 (0.61) KMT2AMEN1MAPTEPHX2FAAH
Hydrochloric Acid SCHEMBL6444714 0.79 SCN1A (0.55) KMT2AMEN1LMNAEPHX2FAAH
SCHEMBL18361031 0.78 NOTUM (0.44) LMNAMAPTOPRM1OPRD1
SCHEMBL22694560 0.78 KMT2A (0.51) KMT2AADRB2MEN1LMNAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 US disclosed
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2018-12-27 US disclosed
WO-2017004522-A1 HISTONE DEACETYLASE INHIBTORS BIOMARIN PHARMACEUTICAL INC. (US) 2017-01-05 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 (4 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-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 KMT2A 68/4885ADRB2 4404/4885MEN1 4476/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 KMT2A 68/4885ADRB2 4404/4885MEN1 4476/4885
US-20180370915-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 KMT2A 68/4885ADRB2 4404/4885MEN1 4476/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 KMT2A 68/4885ADRB2 4404/4885MEN1 4476/4885

“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.