SCHEMBL21452014

SCHEMBL21452014

CC(C)(C)OC(=O)NC1(c2ccc(C#N)cc2F)CCCC(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
DRD2 P14416 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
GPR119 Q8TDV5 7/20 0.37
P2RX7 Q99572 1/20 0.35
TRPA1 O75762 1/20 0.35
ABCB1 P08183 6/20 0.35
ALK Q9UM73 1/20 0.34

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
SCHEMBL21451915 0.85 BDKRB1 (0.36) DRD2KDM4DP2RX7
SCHEMBL21452015 0.84 CYP11B2 (0.41) CYP11B2EGLN2DRD2KDM4DGPR119
SCHEMBL21452019 0.84 DRD2 (0.36) EGLN2DRD2KDM4DGPR119TRPA1
SCHEMBL21452472 0.83 SIRT2 (0.39) DRD2KDM4DABCB1
SCHEMBL23002199 0.81 BDKRB1 (0.34) DRD2
SCHEMBL21452558 0.81 PSEN1 (0.35) DRD2KDM4D
SCHEMBL21451948 0.79 RIPK1 (0.33)
SCHEMBL21452175 0.79 HDAC4 (0.39) GPR119P2RX7
SCHEMBL21452238 0.79 DPP8 (0.37) P2RX7
SCHEMBL21451903 0.79 DDB1 (0.36) GPR119

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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT CYP11B2 18/4885EGLN2 3239/4885DRD2 2133/4885

“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.