SCHEMBL2460764

SCHEMBL2460764

O=C(NC1CCCc2cccnc2C1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DHODH Q02127 1/20 0.46
GRM5 P41594 2/20 0.46
THRB P10828 1/20 0.45
NAMPT P43490 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
POLB P06746 2/20 0.44
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CTSC P53634 1/20 0.43
HTR2B P41595 1/20 0.42

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
SCHEMBL2464533 0.88 DHODH (0.46) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL2456720 0.87 RAB9A (0.50) NPC1RAB9AMEN1KMT2AGRM5
SCHEMBL3796486 0.83 NPC1 (0.62) NPC1RAB9AMEN1KMT2ADHODH
SCHEMBL2456130 0.81 GRM5 (0.46) GRM5NAMPT
SCHEMBL2456255 0.80 SMYD3 (0.54) NPC1RAB9ADHODHGRM5NAMPT
SCHEMBL2456209 0.78 GRM5 (0.44) GRM5NAMPT
SCHEMBL2458690 0.78 RAB9A (0.47) NPC1RAB9AMEN1KMT2AGRM5
SCHEMBL2459033 0.77 SMYD3 (0.43) RAB9AGRM5NAMPT
SCHEMBL2458645 0.76 SLC6A12 (0.46) NPC1RAB9AMEN1KMT2AGRM5
SCHEMBL2459406 0.76 RAB9A (0.45) NPC1RAB9AMEN1KMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
US-7105513-B2 Cardiovascular disorders; strokes; hypotensive agents SANOFI-AVERTIS DEUTSCHLAND GMBH (DE) 2006-09-12 US disclosed
EP-1534277-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
US-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-13 US disclosed
WO-2004014372-A1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388342-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP 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-20040092513-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals LIPG, AADAC, AANAT NPC1 646/4885RAB9A 4422/4885MEN1 4584/4885

“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.