SCHEMBL418509

SCHEMBL418509

CC(=O)Cc1nnn(C(C)(C)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.40
CNR2 P34972 2/20 0.39
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DAGLA Q9Y4D2 3/20 0.35
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2B6 P20813 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 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
SCHEMBL3294672 0.90 POLB (0.41) POLBSMN1; SMN2HPGDCNR2CYP2C19
SCHEMBL15247692 0.79 ATM (0.34) POLBSMN1; SMN2HPGDCNR2ALDH1A1
SCHEMBL3295866 0.78 POLB (0.35) POLBSMN1; SMN2CYP2C19HIF1ADAGLA
SCHEMBL2529821 0.78 TRPV1 (0.43) CNR2DAGLATRPV1MGLLHDAC6
SCHEMBL2897339 0.75 HPGD (0.42) POLBSMN1; SMN2HPGDCNR2CYP2C19
SCHEMBL1121836 0.67 NOTUM (0.35) POLBSMN1; SMN2HPGDCNR2ALDH1A1
SCHEMBL27405017 0.67 POLB (0.36) POLBSMN1; SMN2CNR2CYP2C19HIF1A
SCHEMBL752388 0.66 POLB (0.33) POLBSMN1; SMN2CNR2ALDH1A1DAGLA
SCHEMBL24033583 0.65 POLB (0.42) POLBSMN1; SMN2HPGDCNR2CYP2C19
SCHEMBL3393694 0.64 RAB9A (0.47) POLBSMN1; SMN2HPGDCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-8252923-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-28 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-7820671-B2 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100137583-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2010-06-03 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 (4 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD POLB 2945/4885SMN1; SMN2 4224/4885HPGD 1720/4885
US-20100137583-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD POLB 2945/4885SMN1; SMN2 4224/4885HPGD 1720/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD POLB 2945/4885SMN1; SMN2 4224/4885HPGD 1720/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP POLB 2212/4885SMN1; SMN2 4184/4885HPGD 1872/4885

“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.