SCHEMBL21452021

SCHEMBL21452021

CC(C)(C)OC(=O)NC1(c2ccc(C#N)cc2)CCCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.35
PGR P06401 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DRD2 P14416 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
AR P10275 1/20 0.34
JAK1 P23458 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
P2RX7 Q99572 1/20 0.33
PPIA P62937 1/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TRPA1 O75762 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
SCHEMBL25381871 0.87 SIRT2 (0.38) CNR2DRD2NLRP3HSD17B10PPIA
SCHEMBL31426669 0.87 SIRT2 (0.38) CNR2DRD2NLRP3HSD17B10PPIA
SCHEMBL21452492 0.87 SIRT2 (0.38) CNR2DRD2NLRP3HSD17B10PPIA
SCHEMBL21452392 0.84 RORC (0.43) DRD2JAK1P2RX7PPIAGHSR
SCHEMBL26451008 0.84 SLC6A4 (0.40) PPIAGHSR
SCHEMBL21452015 0.83 CYP11B2 (0.41) EGLN2DRD2GPR119TRPA1
SCHEMBL21452178 0.82 PDE2A (0.42)
SCHEMBL21452422 0.82 PDE2A (0.42)
SCHEMBL21452549 0.82 PDE2A (0.42)
SCHEMBL21452019 0.82 DRD2 (0.36) EGLN2PGRDRD2GPR119AR

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 EGLN2 3239/4885PGR 3651/4885CNR1 1730/4885

“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.