SCHEMBL543229

SCHEMBL543229

O=C(OCc1ccc(Cl)cc1F)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
HRH4 Q9H3N8 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ENPP2 Q13822 3/20 0.42
ATXN2 Q99700 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
GPR183 P32249 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PARP1 P09874 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
Hydrochloric Acid SCHEMBL4682149 0.99 HTR2C (0.51) HTR2CHTR2BHRH4PSEN1PSEN2
SCHEMBL543644 0.87 ENPP2 (0.53) HTR2CHTR2BHRH4ENPP2ATXN2
SCHEMBL4680752 0.87 ALDH1A1 (0.53) HTR2CHTR2BPTGDR2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4680744 0.86 ALDH1A1 (0.52) HTR2CHTR2BPTGDR2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4684572 0.86 ENPP2 (0.53) HTR2CHTR2BHRH4ENPP2ATXN2
SCHEMBL543022 0.85 MEN1 (0.45) HTR2CHTR2BENPP2ATXN2ALDH1A1
Hydrochloric Acid SCHEMBL4681782 0.84 MEN1 (0.44) HTR2CHTR2BENPP2ATXN2ALDH1A1
SCHEMBL4682405 0.82 ENPP2 (0.52) HTR2CHTR2BENPP2ATXN2
SCHEMBL4678280 0.82 ALDH1A1 (0.47) HTR2CHTR2BPSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL4682398 0.81 ENPP2 (0.51) HTR2CHTR2BENPP2ATXN2

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 10 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 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 HTR2C 289/4885HTR2B 366/4885HRH4 244/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885HTR2B 366/4885HRH4 244/4885

“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.