SCHEMBL771000

SCHEMBL771000

O=C(NCCCNC(=O)N1CCC2CCCCC2C1)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 5/20 0.48
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
HTR3A P46098 1/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL10138138 0.89 HTR3A (0.51) CCR3NPSR1RAB9ANPC1TP53
SCHEMBL770274 0.86 KEAP1 (0.52) CCR3NPSR1MEN1KMT2AEPHX1
SCHEMBL770660 0.84 GAA (0.51) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL770364 0.82 PRMT3 (0.52) NPSR1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL769682 0.81 NPC1 (0.69) CCR3NPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL770438 0.80 NAMPT (0.62) EPHX1
SCHEMBL770354 0.80 HRH3 (0.48) NPSR1MEN1KMT2AALDH1A1HDAC1
SCHEMBL770901 0.79 LMNA (0.44) KMT2AEPHX1HTT
SCHEMBL770384 0.79 HRH3 (0.52) NPSR1RAB9ANPC1MEN1KMT2A
SCHEMBL770378 0.78 EPHX2 (0.56) NPSR1MEN1KMT2ATSHRALDH1A1

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 CCR3 3880/4885NPSR1 1890/4885RAB9A 2187/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CCR3 3869/4885NPSR1 1896/4885RAB9A 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.