SCHEMBL4680806

SCHEMBL4680806

CC1CNCC(C)N1C(=O)OCc1cc(OCCCc2ccccc2)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.58
MTNR1B P49286 4/20 0.41
MTNR1A P48039 3/20 0.41
MAOB P27338 8/20 0.41
MAOA P21397 6/20 0.39
FFAR1 O14842 1/20 0.38
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 4/20 0.38

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
SCHEMBL4680803 1.00 HTR2C (0.58) HTR2CMTNR1BMTNR1AMAOBMAOA
SCHEMBL4682225 0.95 HTR2C (0.59) HTR2CMTNR1BMTNR1AMAOBMAOA
SCHEMBL4682222 0.95 HTR2C (0.59) HTR2CMTNR1BMTNR1AMAOBMAOA
SCHEMBL4681941 0.90 HTR2C (0.66) HTR2CMAOBS1PR1
SCHEMBL4681939 0.90 HTR2C (0.66) HTR2CMAOBS1PR1
Hydrochloric Acid SCHEMBL4681309 0.89 HTR2C (0.65) HTR2CMAOBS1PR1
Hydrochloric Acid SCHEMBL4681302 0.89 HTR2C (0.65) HTR2CMAOBS1PR1
SCHEMBL4681717 0.88 HTR2C (0.50) HTR2C
SCHEMBL4681721 0.88 HTR2C (0.50) HTR2C
SCHEMBL4681102 0.87 DPP4 (0.43) HTR2CMTNR1BMTNR1AMAOBMAOA

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 289/4885MTNR1B 492/4885MTNR1A 595/4885
US-20040235859-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 HTR2C 289/4885MTNR1B 492/4885MTNR1A 595/4885

“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.