SCHEMBL22374272

SCHEMBL22374272

CC(C)(C)OC(=O)N1Cc2cc(C#N)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GPR119 Q8TDV5 5/20 0.41
DRD2 P14416 1/20 0.40
AR P10275 1/20 0.40
NR1H2 P55055 1/20 0.38
ALK Q9UM73 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NAMPT P43490 1/20 0.36
LRRK2 Q5S007 1/20 0.36
EGLN2 Q96KS0 2/20 0.36

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
SCHEMBL20184050 0.90 PIK3CA (0.44) PIK3CAMTORHTR2AHTR2CGPR119
SCHEMBL21055130 0.82 ESR2 (0.53) PIK3CAMTORGPR119NR1H2
SCHEMBL15187773 0.82 PIK3CA (0.47) PIK3CAMTORHTR2AHTR2CHTR2B
SCHEMBL18786921 0.81 NR1H2 (0.54) PIK3CAMTORGPR119NR1H2
SCHEMBL29363628 0.81 PIK3CA (0.46) PIK3CAMTORNR1H2
SCHEMBL1500153 0.81 PIK3CA (0.46) PIK3CAMTORNR1H2
SCHEMBL13827347 0.80 PIK3CA (0.46) PIK3CAMTORHTR2AHTR2CHTR2B
SCHEMBL16790464 0.79 GPR119 (0.35) PIK3CAMTORGPR119DRD2AR
SCHEMBL30681316 0.79 PIK3CA (0.45) PIK3CAMTORHTR2AHTR2CHTR2B
SCHEMBL18961426 0.79 PIK3CA (0.45) PIK3CAMTORGPR119NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285103-B2 Degradable hydrogel under physiological conditions HAN JIE (CN) 2022-03-29 US disclosed
US-20200268658-A1 Degradable hydrogel under physiological conditions HAN JIE (CN) 2020-08-27 US 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-20200268658-A1 Degradable hydrogel under physiological conditions PTMS, TRHDE, PHYKPL PIK3CA 4703/4885MTOR 3082/4885CYP11B1 4681/4885
US-11285103-B2 Degradable hydrogel under physiological conditions PTMS, TRHDE, PHYKPL PIK3CA 4703/4885MTOR 3082/4885CYP11B1 4681/4885

“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.