SCHEMBL1374701

SCHEMBL1374701

CN(C)c1ccc(C(=O)N2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.62
HPGD P15428 3/20 0.60
GPR183 P32249 1/20 0.52
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL8358137 0.86 SIGMAR1 (0.81) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL24783903 0.84 HPGD (0.68) HPGDGPR183L3MBTL3ALDH1A1MAPT
SCHEMBL2455541 0.83 HPGD (0.71) HPGDL3MBTL3ALDH1A1MAPTCNR2
SCHEMBL12893509 0.82 MKNK1 (0.53) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL16207760 0.81 SIGMAR1 (0.59) SIGMAR1ABL1BCRGABRDGABRA1
SCHEMBL1376416 0.81 GPR183 (0.53) HPGDGPR183ABL1BCRL3MBTL3
SCHEMBL22973353 0.81 ALDH1A1 (0.57) HPGDALDH1A1MAPT
SCHEMBL3451002 0.81 L3MBTL3 (0.51) HPGDGPR183ABL1BCRL3MBTL3
SCHEMBL12017808 0.81 GABRD (0.71) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL9362932 0.81 GABRD (0.71) SIGMAR1HPGDMKNK1MKNK2GABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115932111-A Method for detecting dimethylglycine in serum and application thereof 嘉兴学院 2023-04-07 CN claimed
CN-115932111-A Method for detecting dimethylglycine in serum and application thereof 嘉兴学院 2023-04-07 CN disclosed
EP-2799435-B1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) 2018-03-28 EP disclosed
US-9187430-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-17 US disclosed
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-02-19 US disclosed
CN-103130723-B Poly (aenosine diphosphate glucose pyrophospheralase (ADP)-ribose) polymerase inhibitor CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD 2015-01-14 CN disclosed
EP-2799435-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR Chengdu Di'ao Pharmaceutical Group Co. Ltd. (CN) 2014-11-05 EP disclosed
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 US disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed
EP-1492534-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-01-05 EP disclosed
WO-2003082288-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2003-10-09 WO disclosed
US-4267175-A FOR USE AS AN ANTIEMETIC, AND TREATMENT FOR GASTROINTESTINAL DISORDERS BEECHAM GROUP LIMITED (GB) 1981-05-12 US 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-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 SIGMAR1 4739/4885HPGD 509/4885GPR183 2550/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 SIGMAR1 4694/4885HPGD 1325/4885GPR183 3370/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 SIGMAR1 4694/4885HPGD 1325/4885GPR183 3370/4885

“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.