SCHEMBL3448782

SCHEMBL3448782

CC(C)(C)[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.41
F10 P00742 3/20 0.41
KDM5A P29375 1/20 0.41
ENPP2 Q13822 2/20 0.35
MMP13 P45452 1/20 0.35
SPR P35270 1/20 0.34
CCR1 P32246 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
MCHR1 Q99705 2/20 0.32
KCNH2 Q12809 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL3450076 0.97 VNN1 (0.42) VNN1F10KDM5AENPP2MMP13
SCHEMBL3449524 0.81 CCR1 (0.33) CCR1MCHR1NPY5R
SCHEMBL3449578 0.81 F10 (0.41) F10ENPP2MMP13CCR1MCHR1
SCHEMBL6015105 0.78 VNN1 (0.46) VNN1F10KDM5AENPP2MMP13
SCHEMBL19001333 0.77 KDM5A (0.50) VNN1F10KDM5AENPP2MMP13
SCHEMBL3450005 0.76
SCHEMBL3448662 0.76 F10 (0.45) F10CCR1
SCHEMBL6015039 0.75 VNN1 (0.47) VNN1F10KDM5AENPP2SPR
SCHEMBL3449184 0.75 F10 (0.49) F10
SCHEMBL3448614 0.75 GPR119 (0.36) F10

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 VNN1 1496/4885F10 22/4885KDM5A 1908/4885

“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.