SCHEMBL12259752

SCHEMBL12259752

CCNC(=O)C(N)Cc1cnc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
SLC7A5 Q01650 1/20 0.63
NLN Q9BYT8 2/20 0.60

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
SCHEMBL19227330 1.00 CYP3A4 (0.63) CYP3A4SLC7A5NLN
SCHEMBL13331622 0.86 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL6957266 0.86 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL18162790 0.86 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL27802167 0.86 CYP3A4 (0.64) CYP3A4SLC7A5NLN
SCHEMBL18878637 0.84 NLN (0.66) CYP3A4SLC7A5NLN
SCHEMBL27432299 0.84 CYP3A4 (0.66) CYP3A4SLC7A5NLN
SCHEMBL18862447 0.84 CYP3A4 (0.61) CYP3A4SLC7A5NLN
SCHEMBL27946609 0.83 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL20716201 0.83 CYP3A4 (0.60) CYP3A4SLC7A5NLN

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-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 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 (2 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F CYP3A4 2191/4885SLC7A5 3768/4885NLN 4862/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B CYP3A4 4184/4885SLC7A5 4451/4885NLN 4864/4885

“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.