SCHEMBL5320102

SCHEMBL5320102

Cc1cc(C#N)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.53
ELANE P08246 4/20 0.52
GRM1 Q13255 5/20 0.48
GRM5 P41594 4/20 0.48
CNR1 P21554 1/20 0.47
HTR6 P50406 1/20 0.46
KDM1A O60341 1/20 0.46
JAK1 P23458 1/20 0.46
EED O75530 1/20 0.46
RBBP4 Q09028 1/20 0.46
SUZ12 Q15022 1/20 0.46
EZH2 Q15910 1/20 0.46
NAMPT P43490 2/20 0.45
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43

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
SCHEMBL1763322 0.89 ELANE (0.54) PDK4ELANEGRM1GRM5CNR1
SCHEMBL20112166 0.86 PDK4 (0.58) PDK4GRM1GRM5CNR1HTR6
SCHEMBL2080489 0.86 PDK4 (0.52) PDK4ELANEGRM1GRM5CNR1
SCHEMBL25936245 0.84 PDK4 (0.56) PDK4GRM1GRM5CNR1HTR6
SCHEMBL6359772 0.84 NAMPT (0.42) ELANEKDM1AJAK1NAMPT
SCHEMBL2357533 0.84 NAMPT (0.57) PDK4ELANEGRM1GRM5HTR6
SCHEMBL16434777 0.83 GRM1 (0.56) PDK4GRM1GRM5CNR1HTR6
SCHEMBL1811363 0.83 PDK4 (0.55) PDK4GRM1GRM5CNR1HTR6
SCHEMBL29744827 0.83 PDK4 (0.55) PDK4GRM1GRM5CNR1HTR6
SCHEMBL19701841 0.83 CNR1 (0.55) PDK4GRM1GRM5CNR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
WO-2005117882-A9 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORP (US) 2007-03-01 WO disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 WO disclosed
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors INCYTE CORPORATION 2005-11-10 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 (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-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors MMP9, MMP17, MMP25 PDK4 3673/4885ELANE 134/4885GRM1 2840/4885

“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.