SCHEMBL3449169

SCHEMBL3449169

Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](Cc3ccccc3)N(C(=O)O)C(C)(C)C)CC1)C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.48
F2 P00734 3/20 0.48
CHRM1 P11229 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
P2RX7 Q99572 1/20 0.33
OPRD1 P41143 1/20 0.33
CALCRL Q16602 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3449486 0.93 F10 (0.45) F10F2P2RX7SMN1; SMN2
SCHEMBL3451167 0.93 F10 (0.46) F10F2CHRM1TSHRP2RX7
SCHEMBL3449096 0.90 F10 (0.45) F10F2CHRM1P2RX7CALCRL
SCHEMBL3450143 0.89 F10 (0.49) F10F2
SCHEMBL3449982 0.87 F10 (0.48) F10F2
SCHEMBL3447637 0.87 F10 (0.48) F10F2
SCHEMBL3449250 0.85 F10 (0.47) F10F2
SCHEMBL3449305 0.85 F10 (0.46) F10F2
SCHEMBL3451297 0.84 F10 (0.43) F10F2CHRM1TSHRP2RX7
SCHEMBL3449184 0.84 F10 (0.49) F10F2

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 22/4885F2 1/4885CHRM1 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.