SCHEMBL1024330

SCHEMBL1024330

O=C(CC1CCN(c2ccccn2)CC1)OC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 5/20 0.52
KDM4E B2RXH2 3/20 0.52
GPR119 Q8TDV5 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
FFAR1 O14842 1/20 0.43
RAB9A P51151 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HPGD P15428 3/20 0.42
USP30 Q70CQ3 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1026507 0.85 KDM4E (0.47) ALDH1A1HSD17B10KDM4EGPR119DPP4
SCHEMBL1023389 0.84 KDM4E (0.50) ALDH1A1KDM4EGPR119DPP4DPP8
SCHEMBL4365334 0.83 CHRM4 (0.48) KDM4EFFAR1HRH3
SCHEMBL1025550 0.83 FFAR1 (0.44) DPP4DPP9DPP7FFAR1HRH3
Trifluoroacetic Acid SCHEMBL1024329 0.82 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EGPR119SMN1; SMN2
SCHEMBL1024883 0.82 HTR3E (0.48) ALDH1A1FFAR1HRH3TSHRCYP2D6
SCHEMBL1024922 0.82 CHRM2 (0.46) GPR119FFAR1
SCHEMBL4364569 0.81 LSS (0.43) GPR119HRH3
SCHEMBL4359941 0.81 CHRM4 (0.51) HRH3USP30
SCHEMBL12813874 0.80 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EGPR119SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALDH1A1 2511/4885HSD17B10 3774/4885KDM4E 248/4885

“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.