SCHEMBL2464533

SCHEMBL2464533

O=C(NC1CCCc2cccnc2C1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
GRM5 P41594 8/20 0.45
NAMPT P43490 2/20 0.45
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE4B Q07343 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2460764 0.88 NPC1 (0.54) DHODHGRM5NAMPTHTR2CDRD3
SCHEMBL2456147 0.87 CA12 (0.50) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL2458645 0.84 SLC6A12 (0.46) GRM5ALDH1A1PDE4BMEN1KMT2A
SCHEMBL2456130 0.81 GRM5 (0.46) GRM5NAMPTALDH1A1
SCHEMBL2456255 0.78 SMYD3 (0.54) DHODHGRM5NAMPTALDH1A1NPC1
SCHEMBL2456209 0.78 GRM5 (0.44) GRM5NAMPTALDH1A1
SCHEMBL2458690 0.78 RAB9A (0.47) GRM5ALDH1A1PDE4BMEN1KMT2A
SCHEMBL2459033 0.77 SMYD3 (0.43) GRM5NAMPTRAB9A
SCHEMBL2459406 0.76 RAB9A (0.45) ALDH1A1DRD3MEN1KMT2ANPC1
SCHEMBL2456720 0.74 RAB9A (0.50) GRM5NAMPTMEN1KMT2ANPC1

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 DHODH 2423/4885GRM5 388/4885NAMPT 1526/4885

“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.