SCHEMBL770423

SCHEMBL770423

O=C(NCCCNC(=O)N1CCCC2CCCCC21)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX2 P34913 3/20 0.53
HRH3 Q9Y5N1 2/20 0.51
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
CYP2C19 P33261 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.47
CCR3 P51677 1/20 0.47
POLB P06746 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL770908 0.89 FKBP1A (0.53) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL771343 0.88 DPP4 (0.49) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL771517 0.88 FKBP1A (0.54) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770096 0.87 NPC1 (0.55) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL771633 0.87 FKBP1A (0.49) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL769682 0.85 NPC1 (0.69) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770428 0.85 DPP4 (0.49) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL771345 0.83 EPHX2 (0.57) NPC1RAB9ASMN1; SMN2EPHX2ALDH1A1
SCHEMBL770625 0.82 EPHX2 (0.62) FKBP1ANPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL770274 0.81 KEAP1 (0.52) FKBP1AEPHX2HRH3KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FKBP1A 359/4885NPC1 97/4885RAB9A 2187/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 FKBP1A 354/4885NPC1 104/4885RAB9A 2217/4885

“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.