SCHEMBL3534847

SCHEMBL3534847

CCc1ccccc1C1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
HCRTR2 O43614 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 2/20 0.37
IKBKB O14920 1/20 0.36
PDE10A Q9Y233 2/20 0.36
ADRA1A P35348 1/20 0.36
TSHR P16473 2/20 0.36
MGLL Q99685 1/20 0.35
ALOX5 P09917 1/20 0.35
NAAA Q02083 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL7135459 0.86 HCRTR2 (0.45) HCRTR2SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4359130 0.84 ESR2 (0.38) ESR2SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL12474580 0.82 PTGDR2 (0.44) HCRTR2SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL5821254 0.81 PTGDR2 (0.46) HCRTR2SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL28184636 0.81 HRH1 (0.38) ESR2SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL27267184 0.80 ESR2 (0.47) ESR2IKBKBPDE10AMEN1TP53
SCHEMBL27969117 0.79 HCRTR2 (0.41) ESR2HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL27735857 0.78 NAAA (0.47) ESR2SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL11828421 0.78 SLC6A4 (0.41) ESR2HCRTR2SLC6A2SLC6A4SLC6A3
SCHEMBL10864121 0.78 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3ADRB2HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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 (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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 ESR2 530/4885HCRTR2 84/4885SLC6A2 354/4885

“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.