SCHEMBL12401667

SCHEMBL12401667

CCCC(NC(C)(C)C)C(=O)C(=O)NCCc1c[nH]c2cc(C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PTGS2 P35354 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
PTGS1 P23219 1/20 0.45
SIRT1 Q96EB6 1/20 0.43
HTR2A P28223 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
GFER P55789 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL12401699 0.92 MTNR1A (0.58) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL12401679 0.83 HTR1A (0.50) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL12404686 0.82 MTNR1A (0.63) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL14943754 0.77 MTNR1A (0.64) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL24460220 0.75 MTNR1A (0.80) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL30952642 0.73 MTNR1A (0.72) MTNR1AMTNR1BMEN1KMT2APTGS2
SCHEMBL13285078 0.73 MTNR1A (0.56) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL15338726 0.73 SPR (0.62) MAPTMEN1KMT2APTGS2PTGS1
SCHEMBL28957463 0.73 MTNR1A (0.61) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL14878885 0.73 MTNR1A (0.55) MTNR1AMTNR1BMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 MTNR1A 3909/4885MTNR1B 3952/4885MAPT 2629/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 MTNR1A 3870/4885MTNR1B 3835/4885MAPT 2613/4885

“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.