SCHEMBL10067950

SCHEMBL10067950

CCC(=O)[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 10/20 0.38
TLR2 O60603 2/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
TLR4 O00206 1/20 0.32
HSD11B1 P28845 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16360129 1.00 SMYD3 (0.38) SMYD3TLR2GNAI3GNAO1GNAI1
SCHEMBL256670 0.87
SCHEMBL25769031 0.86 TLR4 (0.37) SMYD3TLR2GNAI3GNAO1GNAI1
SCHEMBL8285949 0.86 TLR4 (0.37) SMYD3TLR2GNAI3GNAO1GNAI1
SCHEMBL18061208 0.81 ABL1 (0.45) SMYD3TLR2GNAI3GNAO1GNAI1
SCHEMBL22519397 0.80
SCHEMBL16887590 0.80 SMN1; SMN2 (0.54) SMN1; SMN2PLGPLATLMNAGAA
SCHEMBL27787478 0.79 TDP1 (0.33) SMN1; SMN2PLGPLATLMNATLR4
SCHEMBL256032 0.79
SCHEMBL2128026 0.79

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
WO-2015031824-A9 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-06-16 WO disclosed
WO-2015031824-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-03-05 WO disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL SMYD3 4706/4885TLR2 1110/4885GNAI3 1311/4885

“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.