SCHEMBL4678073

SCHEMBL4678073

CC1CNCC(C)N1C(=O)OCc1cc(OC(F)F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MTNR1B P49286 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
DPP4 P27487 1/20 0.34
RORC P51449 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CPS1 P31327 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL4678067 1.00 HTR2C (0.52) HTR2CHCRTR1HCRTR2ALDH1A1MTNR1B
Hydrochloric Acid SCHEMBL4678328 0.99 HTR2C (0.51) HTR2CHCRTR1HCRTR2ALDH1A1MTNR1B
Hydrochloric Acid SCHEMBL4678324 0.99 HTR2C (0.51) HTR2CHCRTR1HCRTR2ALDH1A1MTNR1B
SCHEMBL4680802 0.92 HTR2C (0.50) HTR2CALDH1A1LMNAMC4R
SCHEMBL4680799 0.92 HTR2C (0.50) HTR2CALDH1A1LMNAMC4R
Hydrochloric Acid SCHEMBL4681816 0.91 HTR2C (0.49) HTR2CALDH1A1LMNAMC4R
Hydrochloric Acid SCHEMBL4681820 0.91 HTR2C (0.49) HTR2CALDH1A1LMNAMC4R
SCHEMBL4678357 0.91 HTR2C (0.52) HTR2CHCRTR1HCRTR2ALDH1A1CHRNB2
SCHEMBL4678350 0.91 HTR2C (0.52) HTR2CHCRTR1HCRTR2ALDH1A1CHRNB2
SCHEMBL4680884 0.89 HTR2C (0.54) HTR2CMTNR1BCPS1

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 289/4885HCRTR1 2034/4885HCRTR2 3062/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885HCRTR1 2034/4885HCRTR2 3062/4885

“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.