SCHEMBL771004

SCHEMBL771004

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.40
HTR1D P28221 3/20 0.38
HTR1A P08908 3/20 0.37
SLC6A4 P31645 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SPR P35270 2/20 0.36
HTR1B P28222 2/20 0.36
TRPV1 Q8NER1 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL771753 0.92 KMT2A (0.44) BCHEHTR1DHTR1AHTR2AHTR2C
SCHEMBL772068 0.91 SMN1; SMN2 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL770024 0.84 HRH3 (0.35) KDM4EALDH1A1LMNACYP3A4CYP2D6
SCHEMBL771003 0.83 BCHE (0.43) BCHEHTR1DHTR1ASLC6A4HTR2A
SCHEMBL770267 0.79 ALOX5 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL770840 0.79 ALDH1A1 (0.37) ALDH1A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL770279 0.78 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL770669 0.77 KCNH2 (0.38) ALDH1A1LMNANPSR1TDP1SMN1; SMN2
SCHEMBL771752 0.76 KMT2A (0.45) BCHEHTR1DHTR1AHTR2AHTR2C
SCHEMBL770041 0.73 RAB9A (0.42) ALDH1A1LMNATDP1CYP1A2CYP3A4

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 BCHE 278/4885HTR1D 413/4885HTR1A 557/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 BCHE 291/4885HTR1D 415/4885HTR1A 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.