SCHEMBL2458645

SCHEMBL2458645

O=C(NC1CCCc2cccnc2C1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
GRM5 P41594 5/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL2460613 0.88 RAB9A (0.47) SLC6A12KMT2ARAB9ANPC1CHRNB2
SCHEMBL2464533 0.84 DHODH (0.46) KMT2ARAB9ANPC1ALDH1A1GRM5
SCHEMBL2458690 0.81 RAB9A (0.47) KMT2ARAB9ANPC1ALDH1A1HPGD
SCHEMBL2459406 0.79 RAB9A (0.45) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL2460764 0.76 NPC1 (0.54) KMT2ARAB9ANPC1GRM5MEN1
SCHEMBL2463335 0.74 CNR2 (0.64) KMT2ARAB9ANPC1ALDH1A1HPGD
SCHEMBL2456257 0.73 MEN1 (0.47) KMT2ARAB9ANPC1HPGDSMN1; SMN2
SCHEMBL3797277 0.73 HPGD (0.64) RAB9ANPC1ALDH1A1HPGDGRM5
SCHEMBL3800601 0.73 NPC1 (0.49) RAB9ANPC1ALDH1A1GRM5SMN1; SMN2
SCHEMBL29077678 0.73 HPGD (0.71) SLC6A12RAB9ANPC1ALDH1A1HPGD

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 SLC6A12 4026/4885KMT2A 882/4885RAB9A 4422/4885

“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.