SCHEMBL543032

SCHEMBL543032

O=C(OCc1ccc(Br)cc1)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.45
CYP2C19 P33261 1/20 0.45
SLC29A1 Q99808 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MMP1 P03956 1/20 0.43
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
PRSS1 P07477 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GRIN2B Q13224 1/20 0.40

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
Hydrochloric Acid SCHEMBL4681128 0.98 KMT2A (0.47) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL27694192 0.88 MEN1 (0.50) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL4678826 0.85 GRIN2B (0.52) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL148277 0.85 SCN5A (0.50) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL542709 0.85 GRIN2B (0.52) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL542683 0.85 MEN1 (0.58) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL27675677 0.85 SMN1; SMN2 (0.48) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL542958 0.85 PIM1 (0.44) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3889285 0.84 MEN1 (0.66) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3778880 0.84 MEN1 (0.66) KMT2AMEN1NPSR1SMN1; SMN2NPC1

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
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP claimed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO claimed
EP-3952914-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION Ranok Therapeutics (Hangzhou) Co. Ltd. (CN) 2022-02-16 EP disclosed
WO-2020207396-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2020-10-15 WO disclosed
EP-2414330-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO disclosed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
US-7022707-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-04-04 US disclosed
US-20040235859-A1 Novel piperazine derivatives ADAMS DAVID REGINALD (GB) 2004-11-25 US disclosed
CN-1533382-A Piperazine derivatives - 2004-09-29 CN disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 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 (2 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 KMT2A 1046/4885MEN1 1694/4885NPSR1 80/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 KMT2A 1046/4885MEN1 1694/4885NPSR1 80/4885

“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.