SCHEMBL4680300

SCHEMBL4680300

C[C@@H]1CNC[C@H](C)N1C(=O)OCc1ccc(OC(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.67
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ALKBH1 Q13686 1/20 0.39
HTR2A P28223 3/20 0.38
ACACB O00763 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
MDM2 Q00987 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL4681660 1.00 HTR2C (0.67) HTR2CLMNAPOLBALDH1A1ALKBH1
SCHEMBL4680302 1.00 HTR2C (0.67) HTR2CLMNAPOLBALDH1A1ALKBH1
Hydrochloric Acid SCHEMBL4682488 0.99 HTR2C (0.65) HTR2CLMNAPOLBALDH1A1ALKBH1
Hydrochloric Acid SCHEMBL4682494 0.99 HTR2C (0.65) HTR2CLMNAPOLBALDH1A1ALKBH1
Fumaric Acid SCHEMBL7671360 0.93 HTR2C (0.62) HTR2CLMNAPOLBALDH1A1ALKBH1
Fumaric Acid SCHEMBL4679124 0.93 HTR2C (0.62) HTR2CLMNAPOLBALDH1A1ALKBH1
SCHEMBL4685061 0.87 HTR2C (0.66) HTR2CALKBH1CACNA1GCACNA1HCACNA1I
SCHEMBL4685064 0.87 HTR2C (0.66) HTR2CALKBH1CACNA1GCACNA1HCACNA1I
SCHEMBL4680799 0.86 HTR2C (0.50) HTR2CLMNAPOLBALDH1A1ALKBH1
SCHEMBL4680802 0.86 HTR2C (0.50) HTR2CLMNAPOLBALDH1A1ALKBH1

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 289/4885LMNA 4209/4885POLB 3570/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885LMNA 4209/4885POLB 3570/4885

“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.