SCHEMBL3395704

SCHEMBL3395704

C=CCC1CC1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.57
MAOB P27338 10/20 0.57
HTR2B P41595 6/20 0.57
HTR2A P28223 4/20 0.57
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MAOA P21397 7/20 0.43
KDM1A O60341 5/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2B6 P20813 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2A6 P11509 1/20 0.43
SLC6A2 P23975 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
SCHEMBL12714990 0.81 HTR2C (0.59) HTR2CMAOBHTR2BHTR2AKDM1A
SCHEMBL14396383 0.81 HTR2C (0.59) HTR2CMAOBHTR2BHTR2AKDM1A
SCHEMBL6584873 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL13778 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL13777 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL25254330 0.80 HTR2C (0.57) HTR2CMAOBHTR2BHTR2ADRD2
SCHEMBL10669028 0.79 MEN1 (0.42) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL10669034 0.79 MEN1 (0.42) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL10676981 0.79 MEN1 (0.42) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL10669021 0.79 MEN1 (0.42) HTR2CMAOBHTR2BHTR2AMAOA

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-1401388-B1 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2010-06-16 EP disclosed
US-7704942-B2 Fragrance and flavour compositions GIVAUDAN SA (CH) 2010-04-27 US disclosed
US-20050042255-A1 Fragrance and flavour compositions GIVAUDAN SA (CH) 2005-02-24 US disclosed
EP-1401388-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2004-03-31 EP disclosed
WO-2003002084-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2003-01-09 WO disclosed
EP-1269982-A1 Fragrance and flavour compositions Givaudan SA (CH) 2003-01-02 EP 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 (1 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-20050042255-A1 Fragrance and flavour compositions C5, FAAH2, TRPA1 HTR2C 1660/4885MAOB 1119/4885HTR2B 1060/4885

“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.