SCHEMBL17130313

SCHEMBL17130313

C[C@H](c1ccccc1)N1CCCC[C@H]1CNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
KMT2A Q03164 2/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ACACB O00763 4/20 0.40
ACACA Q13085 3/20 0.40
KDM1A O60341 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL6221470 0.87 CKS1B (0.43) DRD2KMT2ACKS1BSKP1SKP2
SCHEMBL6221463 0.87 CKS1B (0.43) DRD2KMT2ACKS1BSKP1SKP2
SCHEMBL17114329 0.85 KMT2A (0.48) KMT2AOPRK1KDM4E
SCHEMBL17114330 0.85 KMT2A (0.48) KMT2AOPRK1KDM4E
SCHEMBL28805974 0.85 DRD2 (0.43) DRD2KMT2ACKS1BSKP1SKP2
SCHEMBL11024826 0.80 DRD2 (0.45) DRD2KMT2ACKS1BSKP1SKP2
SCHEMBL19088850 0.79 EPHX1 (0.41) DRD2KMT2AL3MBTL1
SCHEMBL19088851 0.79 EPHX1 (0.41) DRD2KMT2AL3MBTL1
SCHEMBL7390418 0.77 LMNA (0.56) DRD2CKS1BSKP1SKP2KDM4E
SCHEMBL5462244 0.77 LMNA (0.56) DRD2CKS1BSKP1SKP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 US disclosed
WO-2015145143-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2015-10-01 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS DRD2 168/4885KMT2A 1086/4885CKS1B 1483/4885

“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.