SCHEMBL5345758

SCHEMBL5345758

COc1cccc2c(C(=O)NCc3cccc(C)c3)c[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 1/20 0.56
MAPK10 P53779 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADORA2A P29274 1/20 0.54
KDM4E B2RXH2 2/20 0.52
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL5318730 0.88 APEX1 (0.57) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL14463687 0.87 KDM4E (0.57) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL28404148 0.82 HPGD (0.74) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL29936750 0.82 HPGD (0.74) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL6204183 0.81 POLB (0.72) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL5316047 0.80 KDM4E (0.61) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL5342453 0.79 HPGD (0.54) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL6206874 0.77 POLB (0.63) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL9936554 0.75 NR4A2 (0.70) HPGDALDH1A1HSD17B10POLBMEN1
SCHEMBL3566514 0.74 ALDH1A1 (0.83) HPGDALDH1A1HSD17B10POLBMEN1

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 (1 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR HPGD 612/4885ALDH1A1 2963/4885HSD17B10 1398/4885

“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.