SCHEMBL3489478

SCHEMBL3489478

COC(=O)N(C1c2ccccc2-c2ccccc21)C1(C(=O)NCC(=O)c2ccccc2)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.35
KMT2A Q03164 3/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
KDM4E B2RXH2 2/20 0.34
FABP5 Q01469 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
OPRM1 P35372 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 3/20 0.33
CHRM1 P11229 1/20 0.33
POLB P06746 1/20 0.32
FABP7 O15540 1/20 0.32
MAOA P21397 2/20 0.32

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
SCHEMBL3491452 0.85 KDM4E (0.36) OPRD1KMT2AKDM4EFABP5ALDH1A1
SCHEMBL3489481 0.79 DPP8 (0.42) OPRD1KMT2ADPP8DPP9FABP5
SCHEMBL6111713 0.73 CYP3A4 (0.36) KMT2AALDH1A1TSHRHSD17B10
SCHEMBL16004761 0.72 POLB (0.46) KMT2ADPP8DPP9FABP5ALDH1A1
SCHEMBL18918200 0.72 TSHR (0.42) OPRD1KMT2AKDM4EALDH1A1TSHR
SCHEMBL3489451 0.72 KDM1A (0.34) KMT2AFABP5ALDH1A1TSHRHSD17B10
SCHEMBL7449064 0.71 FABP5 (0.43) KMT2AFABP5ALDH1A1TSHRKDM1A
SCHEMBL2582773 0.70 NPSR1 (0.35) OPRD1KMT2ADPP8DPP9KDM4E
SCHEMBL2582771 0.70 NPSR1 (0.35) OPRD1KMT2ADPP8DPP9KDM4E
SCHEMBL2382024 0.70 KMT2A (0.47) KMT2ADPP8DPP9FABP5ALDH1A1

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 OPRD1 263/4885KMT2A 1414/4885DPP8 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.