SCHEMBL770772

SCHEMBL770772

COc1ccc2[nH]cc(CCNC(=O)CCCC(=O)N3CCCC4CCCCC43)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.65
MTNR1B P49286 6/20 0.65
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 3/20 0.56
MAPT P10636 1/20 0.56
TRPV1 Q8NER1 1/20 0.54
MEN1 O00255 1/20 0.54
CYP1A1 P04798 1/20 0.54
MPO P05164 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
NQO2 P16083 1/20 0.54
HTR2B P41595 1/20 0.54
RAB9A P51151 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL770192 0.88 TRPV1 (0.58) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL15245593 0.88 HTR2A (0.53) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL794294 0.84 BCHE (0.46) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL770630 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL771752 0.80 KMT2A (0.45) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL770752 0.80 FKBP1A (0.48) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL19051465 0.79 MTNR1A (0.85) MTNR1AMTNR1BALDH1A1KDM4ETRPV1
SCHEMBL31036086 0.78 MTNR1A (0.87) MTNR1AMTNR1BALDH1A1KDM4ETRPV1
SCHEMBL771601 0.78 HPGD (0.49) MTNR1AMTNR1BCYP1A2CYP2D6HPGD
SCHEMBL5616635 0.77 MTNR1A (0.85) MTNR1AMTNR1BALDH1A1KDM4EMAPT

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 MTNR1A 1745/4885MTNR1B 1185/4885ALDH1A1 144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 MTNR1A 1777/4885MTNR1B 1197/4885ALDH1A1 142/4885

“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.