SCHEMBL2370628

SCHEMBL2370628

O=C(O)C1CCC(NCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.61
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
GRIN2B Q13224 4/20 0.57
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
ACHE P22303 2/20 0.53
BACE1 P56817 2/20 0.53
BCHE P06276 1/20 0.53
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
DRD4 P21917 1/20 0.49
FYN P06241 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FABP6 P51161 1/20 0.47

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
SCHEMBL2401087 1.00 LTA4H (0.61) LTA4HALDH1A1GAAGRIN2BMEN1
SCHEMBL2370430 0.92 LTA4H (0.62) LTA4HALDH1A1GAAGRIN2BMEN1
Bicarbonate SCHEMBL11118446 0.89 GRIN2B (0.65) ALDH1A1GRIN2BMEN1RAB9AKMT2A
SCHEMBL663239 0.85 GRIN2B (0.74) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL2405274 0.84 ALDH1A1 (0.52) LTA4HALDH1A1GAAGRIN2BMEN1
SCHEMBL2405273 0.84 ALDH1A1 (0.52) LTA4HALDH1A1GAAGRIN2BMEN1
Methyl Alcohol SCHEMBL27513196 0.83 GRIN2B (0.67) GRIN2BMEN1RAB9AKMT2AACHE
Hydrochloric Acid SCHEMBL2550113 0.83 MEN1 (0.78) GRIN2BMEN1RAB9AKMT2AACHE
Ammonia Solution, Strong SCHEMBL3644104 0.83 ALDH1A1 (0.51) LTA4HALDH1A1GAAGRIN2BMEN1
SCHEMBL14897920 0.83 RAB9A (0.67) LTA4HALDH1A1GAAMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 CN disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
CN-102834380-A Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH 2012-12-19 CN disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 LTA4H 3474/4885ALDH1A1 2914/4885GAA 1543/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 LTA4H 3474/4885ALDH1A1 2914/4885GAA 1543/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 LTA4H 3474/4885ALDH1A1 2914/4885GAA 1543/4885

“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.