SCHEMBL3489451

SCHEMBL3489451

COC(=O)N(C1c2ccccc2-c2ccccc21)C1(c2ncc(-c3ccccc3)o2)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.34
BACE1 P56817 1/20 0.34
FABP5 Q01469 3/20 0.34
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
FABP7 O15540 2/20 0.32
LMNA P02545 1/20 0.32
MDM2 Q00987 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIN2B Q13224 1/20 0.31

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
SCHEMBL3489452 0.81 DPP8 (0.40) KDM1ABACE1FABP5MDM4TP53
SCHEMBL4630952 0.78 MDM2 (0.37) FABP5MDM4TP53FABP7LMNA
SCHEMBL3489478 0.72 OPRD1 (0.35) KDM1AFABP5ALDH1A1TSHRPOLB
SCHEMBL3491452 0.70 KDM4E (0.36) BACE1FABP5ALDH1A1TSHRLMNA
SCHEMBL16004761 0.70 POLB (0.46) FABP5ALDH1A1TSHRPOLBFABP7
SCHEMBL7449064 0.68 FABP5 (0.43) KDM1AFABP5ALDH1A1TSHRPOLB
SCHEMBL2382024 0.68 KMT2A (0.47) FABP5ALDH1A1TSHRPOLBFABP7
SCHEMBL13327274 0.67 POLB (0.52) FABP5ALDH1A1TSHRPOLBFABP7
SCHEMBL22397770 0.67 POLB (0.52) FABP5ALDH1A1TSHRPOLBFABP7
Hydrochloric Acid SCHEMBL2345547 0.67 KMT2A (0.46) FABP5ALDH1A1TSHRPOLBFABP7

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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 (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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A KDM1A 2036/4885BACE1 3459/4885FABP5 3833/4885

“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.