SCHEMBL3451297

SCHEMBL3451297

Cc1ncc2n1C(=O)N(N1CCN(C(=O)[C@@H](Cc3ccccc3)N(C(=O)O)C(C)(C)C)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
HSD17B10 Q99714 2/20 0.35
CHRM1 P11229 6/20 0.34
MAPK1 P28482 2/20 0.34
P2RX7 Q99572 3/20 0.33
F2 P00734 1/20 0.33
PDK2 Q15119 1/20 0.33
HTT P42858 5/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CAMK2D Q13557 1/20 0.32
P2RX4 Q99571 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
OPRK1 P41145 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
SCHEMBL3450371 0.93 F10 (0.42) F10CHRM1P2RX7F2HTT
SCHEMBL3449169 0.84 F10 (0.48) F10CHRM1P2RX7F2ALDH1A1
SCHEMBL3448749 0.84 F10 (0.41) F10F2
SCHEMBL3452047 0.83 F10 (0.43) F10F2
SCHEMBL6015135 0.82 ALDH1A1 (0.46) F10HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3448870 0.82 F10 (0.42) F10F2
SCHEMBL3449486 0.79 F10 (0.45) F10P2RX7F2MAPTSMN1; SMN2
SCHEMBL6015044 0.79 F10 (0.45) F10F2ALDH1A1
SCHEMBL3451025 0.79 F10 (0.40) F10F2
SCHEMBL3451167 0.78 F10 (0.46) F10CHRM1P2RX7F2ALDH1A1

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 F10 22/4885HSD17B10 995/4885CHRM1 898/4885

“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.