SCHEMBL4323880

SCHEMBL4323880

O=C(O)CN1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.49
MCHR1 Q99705 1/20 0.37
FPR2 P25090 5/20 0.36
KDM1A O60341 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
FPR1 P21462 1/20 0.36
USP30 Q70CQ3 2/20 0.35
EPHX2 P34913 1/20 0.35
PTGS2 P35354 1/20 0.34
EP300 Q09472 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL180730 0.81 DGAT1 (0.52) DGAT1MCHR1FPR2FPR1USP30
SCHEMBL180830 0.79 DGAT1 (0.76) DGAT1
SCHEMBL27758109 0.78 DGAT1 (0.47) DGAT1MCHR1FPR2FPR1USP30
SCHEMBL181069 0.78 DDB1 (0.50) DGAT1JAK2
SCHEMBL180746 0.77 DGAT1 (0.56) DGAT1MCHR1USP30
SCHEMBL180828 0.76 DGAT1 (0.47) DGAT1MCHR1FPR2FPR1EPHX2
SCHEMBL180674 0.74 DGAT1 (0.41) DGAT1FPR2FPR1EP300
SCHEMBL182490 0.74 APP (0.51) DGAT1
Hydrochloric Acid SCHEMBL181048 0.73 APP (0.50) DGAT1
SCHEMBL4323884 0.72 DGAT1 (0.48) DGAT1MCHR1FPR2FPR1USP30

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-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 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-20090247534-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 DGAT1 1/4885MCHR1 4196/4885FPR2 4202/4885

“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.