SCHEMBL3533670

SCHEMBL3533670

Cc1cccc(C2CCCC(=O)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.40
ALOX15B O15296 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL7005918 0.90 HTR2C (0.53) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL426392 0.83 HTR2C (0.55) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL30762101 0.83 HTR2C (0.55) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL3233858 0.81 MDM2 (0.48) PDE4APDE4BPDE4CPDE4DHDAC4
SCHEMBL20621166 0.81 HDAC4 (0.49) DRD2DRD4DRD3HDAC4HDAC2
SCHEMBL20603028 0.81 HDAC4 (0.49) DRD2DRD4DRD3HDAC4HDAC2
SCHEMBL2150558 0.81 DRD2 (0.46) HTR2CDRD2DRD1DRD4DRD5
SCHEMBL716517 0.81 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DHDAC4
SCHEMBL7053063 0.80 HTR2C (0.54) HTR2CDRD2PDE4APDE4BPDE4C
SCHEMBL714856 0.80 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108299334-B Bicyclic sulfinamide-alkene chiral ligand, and preparation method and application thereof 成都理工大学 2021-06-25 CN disclosed
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

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 HTR2C 264/4885DRD2 231/4885DRD1 420/4885

“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.