SCHEMBL16485192

SCHEMBL16485192

COC(=O)c1ccc(COC(=O)N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 3/20 0.48
OPRD1 P41143 1/20 0.48
PKM P14618 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL16465401 0.88 P2RY12 (0.41) NPC1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL27617565 0.86 MAOB (0.46) NPC1SMN1; SMN2ALDH1A1RAB9AOPRD1
SCHEMBL542709 0.86 GRIN2B (0.52) NPC1SMN1; SMN2KDM4EGAARAB9A
SCHEMBL12735949 0.83 SMN1; SMN2 (0.49) NPC1SMN1; SMN2RAB9AOPRD1MEN1
SCHEMBL3037782 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1GAAHPGDHSD17B10
SCHEMBL542683 0.83 MEN1 (0.58) NPC1SMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL27694192 0.83 MEN1 (0.50) NPC1SMN1; SMN2KDM4EGAARAB9A
Hydrochloric Acid SCHEMBL4678485 0.82 GRIN2B (0.53) SMN1; SMN2ALDH1A1GAAHPGDHSD17B10
Hydrochloric Acid SCHEMBL1532757 0.82 SMN1; SMN2 (0.48) NPC1SMN1; SMN2HPGDRAB9AOPRD1
SCHEMBL14653324 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1GAAHSD17B10MEN1

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
CN-1976904-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL LAB (ES) 2007-06-06 CN claimed
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 EP disclosed
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 EP disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
WO-2014057266-A1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE ASTON UNIVERSITY (GB) 2014-04-17 WO disclosed
CN-1976904-A Pyridazin-3 (2H) -one derivatives and their use as PDE4 inhibitors ALMIRALL LAB (ES) 2007-06-06 CN 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-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ENPEP, ENPP2, MMP17 NPC1 1326/4885SMN1; SMN2 3124/4885KDM4E 3109/4885

“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.