SCHEMBL771331

SCHEMBL771331

O=C(CCCC(=O)N1CCCC2CCCCC21)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
CYP3A4 P08684 3/20 0.52
NAMPT P43490 2/20 0.52
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 3/20 0.48
FAAH O00519 2/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL770291 0.87 GAA (0.56) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL770456 0.85 MEN1 (0.55) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL17690709 0.82 TRPV1 (0.46) GAASMN1; SMN2
SCHEMBL769899 0.81 DRD2 (0.57) KMT2AALDH1A1
SCHEMBL772521 0.79 HRH3 (0.54) KMT2ATSHRKDM4E
SCHEMBL770751 0.79 DPP4 (0.54) KMT2ATSHRSMN1; SMN2
SCHEMBL770444 0.78 ALDH1A1 (0.51) KMT2AALDH1A1GAATSHRSMN1; SMN2
SCHEMBL771171 0.78 HDAC3 (0.51)
SCHEMBL769995 0.78 EPHX2 (0.54) NAMPTKMT2ATSHR
SCHEMBL770299 0.77 MAPK14 (0.46) NAMPTALDH1A1GAA

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
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 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 MAPT 618/4885CYP3A4 319/4885NAMPT 2501/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 MAPT 638/4885CYP3A4 322/4885NAMPT 2543/4885

“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.