SCHEMBL4680596

SCHEMBL4680596

C[C@@H]1CNC[C@H](C)N1C(=O)OCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.77
MAOB P27338 1/20 0.47
FFAR1 O14842 1/20 0.46
NR4A2 P43354 1/20 0.46
NAAA Q02083 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
GHSR Q92847 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
ALKBH1 Q13686 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.44
LTB4R Q15722 1/20 0.43

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
SCHEMBL4680597 1.00 HTR2C (0.77) HTR2CMAOBFFAR1NR4A2NAAA
Hydrochloric Acid SCHEMBL4684164 0.99 HTR2C (0.76) HTR2CMAOBFFAR1NR4A2NAAA
Hydrochloric Acid SCHEMBL4684165 0.99 HTR2C (0.76) HTR2CMAOBFFAR1NR4A2NAAA
SCHEMBL25807854 0.88 HTR2C (1.00) HTR2CALDH1A1HTTCACNA1GCACNA1H
SCHEMBL4677060 0.88 HTR2C (1.00) HTR2CALDH1A1HTTCACNA1GCACNA1H
SCHEMBL4677056 0.88 HTR2C (1.00) HTR2CALDH1A1HTTCACNA1GCACNA1H
Hydrochloric Acid SCHEMBL4681156 0.87 HTR2C (0.97) HTR2CALDH1A1HTTCACNA1GCACNA1H
Hydrochloric Acid SCHEMBL4681160 0.87 HTR2C (0.97) HTR2CALDH1A1HTTCACNA1GCACNA1H
SCHEMBL4685064 0.84 HTR2C (0.66) HTR2CCACNA1GCACNA1HCACNA1IALKBH1
SCHEMBL4685061 0.84 HTR2C (0.66) HTR2CCACNA1GCACNA1HCACNA1IALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP 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
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 289/4885MAOB 2221/4885FFAR1 195/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885MAOB 2221/4885FFAR1 195/4885

“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.