SCHEMBL770966

SCHEMBL770966

O=C(NCCC(=O)N1CCCC2CCCCC21)c1nccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
EGFR P00533 1/20 0.44
BTK Q06187 1/20 0.44
HCRTR1 O43613 1/20 0.43
CCR3 P51677 1/20 0.43
F10 P00742 2/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42
ACKR3 P25106 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PREP P48147 6/20 0.40
FAP Q12884 3/20 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
SCHEMBL770258 0.83 PREP (0.57) RAB9ACNR1CNR2NPC1SMN1; SMN2
SCHEMBL770007 0.82 PREP (0.60) PREPFAPDPP7
SCHEMBL770599 0.79 DRD3 (0.48) DRD2DRD3CHRNB2CHRNA7CHRNA4
SCHEMBL770799 0.78 DPP4 (0.60) RAB9ANPC1SMN1; SMN2PREPFAP
SCHEMBL769774 0.78 SLC6A4 (0.51) RAB9ADRD3NPC1SMN1; SMN2
SCHEMBL771667 0.78 PREP (0.55) DRD2DRD3PREPFAPDPP8
SCHEMBL771034 0.77 PREP (0.59) DRD2DRD3CHRNB2CHRNA7CHRNA4
SCHEMBL772132 0.77 PREP (0.60) CNR1CNR2PREPFAPDPP8
SCHEMBL770920 0.75 RAB9A (0.54) RAB9ADRD2DRD3NPC1SMN1; SMN2
SCHEMBL772325 0.75 RAB9A (0.53) RAB9ANPC1SMN1; SMN2

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 RAB9A 2187/4885DRD2 1422/4885DRD3 1541/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 RAB9A 2217/4885DRD2 1418/4885DRD3 1546/4885

“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.