SCHEMBL771753

SCHEMBL771753

CCOC(=O)CN(CCc1c[nH]c2ccc(OC)cc12)C(=O)CCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
HTR1A P08908 5/20 0.41
HTR1B P28222 3/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR2A P28223 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL771004 0.92 BCHE (0.40) TRPV1HTR1AHTR1BBCHEALDH1A1
SCHEMBL772068 0.90 SMN1; SMN2 (0.46) KMT2AALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL770267 0.84 ALOX5 (0.38) KMT2AALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL771752 0.84 KMT2A (0.45) KMT2ATRPV1HTR1AHTR1BBCHE
SCHEMBL770024 0.79 HRH3 (0.35) ALDH1A1CYP2D6CYP2C9L3MBTL1NPC1
SCHEMBL770840 0.79 ALDH1A1 (0.37) KMT2AALDH1A1CYP1A2NPC1SMN1; SMN2
SCHEMBL770279 0.78 ALDH1A1 (0.41) KMT2AALDH1A1CYP2D6CYP2C9L3MBTL1
SCHEMBL770669 0.77 KCNH2 (0.38) KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL771003 0.75 BCHE (0.43) TRPV1HTR1AHTR1BBCHEACHE
SCHEMBL794294 0.74 BCHE (0.46) KMT2ATRPV1BCHEACHEMTNR1A

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-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-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

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 KMT2A 3868/4885TRPV1 4299/4885HTR1A 557/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3893/4885TRPV1 4311/4885HTR1A 572/4885

“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.