SCHEMBL1779463

SCHEMBL1779463

CN1CCC(CN2CCN(c3cccc4[nH]ccc34)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
GAA P10253 5/20 0.57
MAPT P10636 3/20 0.53
HTR6 P50406 5/20 0.52
ADRB1 P08588 1/20 0.52
MEN1 O00255 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR1A P08908 7/20 0.47
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45
GOT1 P17174 2/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL7220805 0.85 DRD2 (0.63) DRD2DRD4DRD3GAAMAPT
SCHEMBL4306478 0.83 ADRB1 (0.69) DRD2DRD4DRD3GAAMAPT
Hydrochloric Acid SCHEMBL5698349 0.81 ADRB1 (0.67) DRD2DRD4DRD3GAAMAPT
SCHEMBL23102103 0.79 DRD2 (0.68) DRD2DRD4DRD3GAAMAPT
SCHEMBL7220048 0.78 DRD2 (0.60) DRD2DRD4DRD3GAAMAPT
SCHEMBL27542561 0.77 DRD2 (0.50) DRD2DRD4DRD3GAAMAPT
SCHEMBL7732059 0.77 DRD2 (0.69) DRD2DRD4DRD3GAAMAPT
SCHEMBL5113532 0.77 DRD2 (0.65) DRD2DRD4DRD3GAAMAPT
SCHEMBL7534110 0.77 DRD2 (0.65) DRD2DRD4DRD3GAAMAPT
SCHEMBL6197936 0.75 DRD2 (0.57) DRD2DRD4DRD3GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US claimed
EP-1140838-A1 1, 4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP claimed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US claimed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US claimed
WO-2000035878-A1 1,4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO claimed
EP-1140838-A1 1, 4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US disclosed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
WO-2000035878-A1 1,4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 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-20010014680-A1 1,4-piperazine derivatives ADH1A, ADH1C, SNCA DRD2 12/4885DRD4 26/4885DRD3 32/4885

“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.