SCHEMBL5633573

SCHEMBL5633573

C[C@H]1CN(C)CCN1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 8/20 0.43
MMP2 P08253 1/20 0.43
ADAM17 P78536 3/20 0.41
GSK3B P49841 2/20 0.40
BCL2A1 Q16548 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5631042 1.00 ADAMTS5 (0.43) ADAMTS5MMP2ADAM17GSK3BBCL2A1
SCHEMBL5631035 1.00 ADAMTS5 (0.43) ADAMTS5MMP2ADAM17GSK3BBCL2A1
Trifluoroacetic Acid SCHEMBL5631929 0.87 ADAMTS5 (0.41) ADAMTS5MMP2ADAM17DRD2DRD4
SCHEMBL5630922 0.83 ADAMTS5 (0.47) ADAMTS5MMP2ADAM17BCL2A1DRD2
SCHEMBL5632211 0.83 ADAMTS5 (0.47) ADAMTS5MMP2ADAM17BCL2A1DRD2
SCHEMBL5630915 0.83 ADAMTS5 (0.47) ADAMTS5MMP2ADAM17BCL2A1DRD2
SCHEMBL14922270 0.82 DRD2 (0.50) ADAMTS5MMP2DRD2DRD4MAPK1
SCHEMBL17809477 0.82 DRD2 (0.50) ADAMTS5MMP2DRD2DRD4MAPK1
SCHEMBL17809480 0.82 DRD2 (0.50) ADAMTS5MMP2DRD2DRD4MAPK1
SCHEMBL6925797 0.79 TRPV4 (0.42) ADAMTS5MMP2GSK3BPIK3C3MAPK1

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
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US disclosed
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 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-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, HTR2A, HTR5A ADAMTS5 1810/4885MMP2 2193/4885ADAM17 2065/4885

“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.