SCHEMBL1673686

SCHEMBL1673686

Clc1ccc([C@@H]2CNCCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.53
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
PRCP P42785 1/20 0.39
CHRNA7 P36544 1/20 0.39
SLC6A4 P31645 1/20 0.37

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
SCHEMBL263978 1.00 HTR3A (0.53) HTR3ASLC6A2SLC6A3PRCPCHRNA7
Hydrochloric Acid SCHEMBL1673491 0.98 HTR3A (0.52) HTR3ASLC6A2SLC6A3PRCPCHRNA7
Hydrochloric Acid SCHEMBL2031988 0.98 HTR3A (0.52) HTR3ASLC6A2SLC6A3PRCPCHRNA7
Hydrochloric Acid SCHEMBL1673492 0.98 HTR3A (0.52) HTR3ASLC6A2SLC6A3PRCPCHRNA7
SCHEMBL27292102 0.91 HTR3A (0.46) HTR3ASLC6A2SLC6A3CHRNA7
SCHEMBL1069753 0.83 SLC6A3 (0.48) HTR3ASLC6A2SLC6A3PRCPCHRNA7
SCHEMBL12537047 0.82 HTR3A (0.52) HTR3ASLC6A2SLC6A3PRCPCHRNA7
SCHEMBL4467879 0.82 HTR3A (0.46) HTR3ASLC6A2SLC6A3PRCPCHRNA7
SCHEMBL552751 0.80 MAPT (0.43)
SCHEMBL10563871 0.80 PARP1 (0.35) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273883-B2 Method for producing optically active 2-arylpiperazine derivative KANEKA CORPORATION (JP) 2012-09-25 US disclosed
EP-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
CN-1764650-B 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP 2010-06-16 CN disclosed
US-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE KANEKA CORPORATION (JP) 2010-04-08 US disclosed
EP-2119709-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE Kaneka Corporation (JP) 2009-11-18 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 US disclosed
CN-1764650-A 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2006-04-26 CN disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE CYP2W1, AGPS, DHPS HTR3A 928/4885SLC6A2 1246/4885SLC6A3 1349/4885
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT HTR3A 665/4885SLC6A2 628/4885SLC6A3 416/4885

“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.