SCHEMBL12404686

SCHEMBL12404686

CCCC(NC(C)(C)C)C(=O)C(=O)NCCc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.63
MTNR1B P49286 6/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A1 P04798 1/20 0.60
MPO P05164 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
CYP2D6 P10635 1/20 0.60
HPGD P15428 1/20 0.60
NQO2 P16083 1/20 0.60
HTR2B P41595 1/20 0.60
RAB9A P51151 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
CYP1B1 Q16678 1/20 0.60
NOTUM Q6P988 1/20 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
SCHEMBL14943234 0.90 MTNR1A (0.66) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL12468420 0.89 MTNR1A (0.65) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL12401699 0.88 MTNR1A (0.58) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL12401679 0.86 HTR1A (0.50) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL15338766 0.83 MTNR1A (0.65) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL12401667 0.82 MTNR1A (0.47) MTNR1AMTNR1BKMT2AMEN1RAB9A
SCHEMBL14943754 0.82 MTNR1A (0.64) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL6930033 0.78 MTNR1A (0.81) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL5616635 0.78 MTNR1A (0.85) MTNR1AMTNR1BKMT2AALDH1A1MEN1
SCHEMBL9123376 0.78 MTNR1A (1.00) MTNR1AMTNR1BKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 MTNR1A 3909/4885MTNR1B 3952/4885KMT2A 3222/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 MTNR1A 3940/4885MTNR1B 4110/4885KMT2A 3161/4885

“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.