SCHEMBL1937232

SCHEMBL1937232

CCCN(C(=O)CCC1CCNCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.44
TACR1 P25103 4/20 0.44
SLC6A2 P23975 7/20 0.44
SLC6A3 Q01959 6/20 0.44
PDK1 Q15118 1/20 0.41
HTR4 Q13639 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
TP53 P04637 1/20 0.39
KCNH2 Q12809 1/20 0.38
CHRM1 P11229 1/20 0.38
ACHE P22303 3/20 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
Fumaric Acid SCHEMBL1937241 0.94 SLC6A4 (0.43) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1937662 0.91 SLC6A4 (0.46) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL2394314 0.88 SLC6A4 (0.46) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL3364749 0.85 ACHE (0.43) HTR4TP53ACHE
Fumaric Acid SCHEMBL1937560 0.85 SLC6A4 (0.42) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL2544643 0.84 SLC6A4 (0.47) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1936986 0.83 SLC6A4 (0.47) SLC6A4TACR1SLC6A2SLC6A3PDK1
Fumaric Acid SCHEMBL1935056 0.83 SLC6A4 (0.42) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1936902 0.81 PDK1 (0.40) SLC6A4TACR1SLC6A2SLC6A3PDK1
Fumaric Acid SCHEMBL1936521 0.80 ACHE (0.41) HTR4TP53ACHE

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-20110218217-A1 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER NEUROSEARCH A/S (DK) 2011-09-08 US claimed
US-20110218217-A1 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER NEUROSEARCH A/S (DK) 2011-09-08 US disclosed
EP-2331504-A2 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER NeuroSearch A/S (DK) 2011-06-15 EP disclosed
WO-2010023196-A2 NOVEL PIPERIDINE-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-03-04 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-20110218217-A1 PIPERIDYLPROPIONAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS INCLUDING DEPRESSION AND PANIC DISORDER SLC18A2, SLC1A2, PNMT SLC6A4 4/4885TACR1 147/4885SLC6A2 5/4885

“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.