SCHEMBL16655509

SCHEMBL16655509

CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
ANPEP P15144 5/20 0.42
GABRA1 P14867 3/20 0.41
FAAH O00519 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL16267050 0.81 GABRA1 (0.43) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL29042594 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL22320712 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL2243365 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL1821813 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL28502131 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL29445003 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL21723903 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
SCHEMBL30976692 0.79 GABRA1 (0.41) DPP4NR1H2NR1H3ANPEPGABRA1
Hydrochloric Acid SCHEMBL25179558 0.78 DPP4 (0.40) DPP4NR1H2NR1H3ANPEPGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834188-A New process for preparing simvastatin 江苏阿尔法药业股份有限公司 2024-10-25 CN claimed
CN-115232086-B Preparation method of 4-benzyl-2 (3H) -oxazolone 扬州市普林斯医药科技有限公司 2024-05-03 CN claimed
CN-115010677-B Preparation method of 4-phenyl-2 (3H) -oxazolone 扬州市普林斯医药科技有限公司 2024-05-03 CN claimed
CN-118834188-A New process for preparing simvastatin 江苏阿尔法药业股份有限公司 2024-10-25 CN disclosed
CN-118841369-A Method for metallization of ultra-high depth-to-width ratio through silicon vias of three-dimensional integrated circuit 厦门大学 2024-10-25 CN disclosed
CN-115232086-B Preparation method of 4-benzyl-2 (3H) -oxazolone 扬州市普林斯医药科技有限公司 2024-05-03 CN disclosed
CN-115010677-B Preparation method of 4-phenyl-2 (3H) -oxazolone 扬州市普林斯医药科技有限公司 2024-05-03 CN disclosed
CN-113402511-B Preparation method of topramezone 西安交通大学 2023-04-07 CN disclosed
US-10759764-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-09-01 US disclosed
WO-2017158275-A1 METHOD FOR PREPARING ALKYLAMINES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-09-21 WO disclosed
US-20160272593-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-22 US disclosed
US-20160272593-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-22 US disclosed
WO-2015058047-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-23 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 (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-20160272593-A1 FLUORINATION OF ORGANIC COMPOUNDS FLI1, SLCO2B1, SLCO1B3 DPP4 2338/4885NR1H2 1942/4885NR1H3 1281/4885
US-10759764-B2 Fluorination of organic compounds FLI1, SLCO2B1, SLCO1B3 DPP4 2338/4885NR1H2 1942/4885NR1H3 1281/4885

“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.