SCHEMBL813175

SCHEMBL813175

COC1N(c2c(C(C)C)cccc2C(C)C)C(F)C(F)N1c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.39
ANPEP P15144 5/20 0.39
GABRA1 P14867 3/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRB2 P47870 2/20 0.36
TSHR P16473 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 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
SCHEMBL811692 0.84 GABRA1 (0.38) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL2232855 0.82 GABRA1 (0.36) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL2231810 0.73 GABRA1 (0.38) DPP4ANPEPGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL6310658 0.67 DPP4 (0.44) DPP4ANPEPGABRA1GABRG2GABRB3
Bromide SCHEMBL6312266 0.67 GABRA1 (0.43) DPP4ANPEPGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL1697559 0.67 DPP4 (0.41) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL13510570 0.66 GABRA1 (0.41) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL13510544 0.66 GABRA1 (0.41) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL2230449 0.66 GABRA1 (0.35) DPP4ANPEPGABRA1GABRG2GABRB3
SCHEMBL13510575 0.64 TSHR (0.43) DPP4ANPEPGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344437-B1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2013-12-25 EP disclosed
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
EP-2344437-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
WO-2010041767-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 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 (3 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-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT DPP4 2964/4885ANPEP 2349/4885GABRA1 332/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 DPP4 2707/4885ANPEP 693/4885GABRA1 446/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C DPP4 4667/4885ANPEP 3535/4885GABRA1 1131/4885

“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.