SCHEMBL9973549

SCHEMBL9973549

C[C@@H]1CC[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@H](N)C(=O)N21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
XIAP P98170 1/20 0.46
BIRC2 Q13490 1/20 0.46
HTT P42858 1/20 0.44
HTR2C P28335 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL9975069 0.87 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AXIAP
SCHEMBL9973496 0.86 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AXIAP
SCHEMBL9973491 0.81 XIAP (0.53) XIAPBIRC2
SCHEMBL25408531 0.80 FKBP1A (0.51) SMN1; SMN2CYP2C19NPC1RAB9AXIAP
SCHEMBL14227553 0.80 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AXIAP
SCHEMBL25408533 0.80 FKBP1A (0.51) SMN1; SMN2CYP2C19NPC1RAB9AXIAP
SCHEMBL13453701 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AXIAP
SCHEMBL4701802 0.79 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL5494667 0.78 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL16382728 0.77 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202902-B2 Bivalent SMAC mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 US disclosed
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 US disclosed
US-20080089896-A1 Bivalent SMAC mimetics and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 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-20080089896-A1 Bivalent SMAC mimetics and the uses thereof BID, BAD, BIRC2 SMN1; SMN2 193/4885CYP2C19 4875/4885NPC1 4724/4885
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 SMN1; SMN2 193/4885CYP2C19 4875/4885NPC1 4724/4885

“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.