SCHEMBL20911925

SCHEMBL20911925

Cc1ncccc1-n1nccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.40
HCRTR2 O43614 11/20 0.40
P2RX7 Q99572 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
VHL P40337 1/20 0.37
MYC P01106 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL16114653 0.80 P2RX7 (0.37) HCRTR1HCRTR2P2RX7KDM4EMAPT
SCHEMBL7475274 0.74 GAA (0.40) P2RX7KDM4EMAPTNPSR1MYC
SCHEMBL2185781 0.74 GAA (0.47) KDM4EMAPTNPSR1
SCHEMBL19480734 0.74 NOS3 (0.45) HCRTR1HCRTR2KDM4ENOS3NOS1
SCHEMBL2172244 0.74 MAPK1 (0.49) KDM4EMAPTNPSR1NPC1
SCHEMBL21848987 0.74 HCRTR2 (0.36) HCRTR1HCRTR2
SCHEMBL29543738 0.74 MAPK1 (0.49) KDM4EMAPTNPSR1NPC1
SCHEMBL4550926 0.73 FLT3 (0.44) KDM4EMAPTNPSR1FLT3GSK3B
SCHEMBL22725122 0.71 TDO2 (0.45) HCRTR1HCRTR2KDM4EMAPTNPSR1
SCHEMBL17449166 0.71 HCRTR1 (0.47) HCRTR1HCRTR2MYC

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-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 US disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 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-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES HCRTR2, HCRTR1, CNR2 HCRTR1 2/4885HCRTR2 1/4885P2RX7 436/4885
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 HCRTR1 2/4885HCRTR2 1/4885P2RX7 373/4885

“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.