SCHEMBL4681815

SCHEMBL4681815

C[C@@H]1CNC[C@H](C)N1C(=O)OCc1cc(O)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.57
MMP2 P08253 2/20 0.34
MMP12 P39900 2/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
DPP4 P27487 1/20 0.34
HPGD P15428 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
CHRM3 P20309 1/20 0.33
AGTR2 P50052 1/20 0.33
CHRM1 P11229 1/20 0.33
GRIN2B Q13224 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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 SCHEMBL4677740 0.99 HTR2C (0.56) HTR2CMMP2MMP12MMP1MMP9
SCHEMBL4684552 0.90 HTR2C (0.57) HTR2CMMP2MMP12MMP1MMP9
SCHEMBL4684548 0.90 HTR2C (0.57) HTR2CMMP2MMP12MMP1MMP9
Hydrochloric Acid SCHEMBL4677230 0.89 HTR2C (0.56) HTR2CMMP2MMP12MMP1MMP9
Hydrochloric Acid SCHEMBL4677226 0.89 HTR2C (0.56) HTR2CMMP2MMP12MMP1MMP9
SCHEMBL4680884 0.87 HTR2C (0.54) HTR2C
SCHEMBL4680891 0.87 HTR2C (0.54) HTR2C
Hydrochloric Acid SCHEMBL4678657 0.86 HTR2C (0.53) HTR2C
Hydrochloric Acid SCHEMBL4678664 0.86 HTR2C (0.53) HTR2C
SCHEMBL4678967 0.85 HTR2C (0.52) HTR2CHTR2APTGDR2ALDH1A1

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 289/4885MMP2 3571/4885MMP12 3758/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885MMP2 3571/4885MMP12 3758/4885

“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.