SCHEMBL1936902

SCHEMBL1936902

CCN(C(=O)CCC1CCNCC1)c1ccc(Br)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
HTR4 Q13639 2/20 0.40
SLC6A4 P31645 7/20 0.37
TACR1 P25103 4/20 0.37
ACHE P22303 2/20 0.37
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A3 Q01959 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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 SCHEMBL27834011 0.94 SLC6A4 (0.39) PDK1HTR4SLC6A4TACR1SLC6A2
Fumaric Acid SCHEMBL2388946 0.94 SLC6A4 (0.39) PDK1HTR4SLC6A4TACR1SLC6A2
SCHEMBL1937662 0.90 SLC6A4 (0.46) PDK1HTR4SLC6A4TACR1ACHE
SCHEMBL2396274 0.89 PDK1 (0.39) PDK1SLC6A4TACR1MEN1ALDH1A1
SCHEMBL1937163 0.86 HTR4 (0.41) HTR4ACHEMEN1ALDH1A1KMT2A
Fumaric Acid SCHEMBL1937560 0.84 SLC6A4 (0.42) PDK1HTR4SLC6A4TACR1SLC6A2
SCHEMBL2544643 0.83 SLC6A4 (0.47) PDK1HTR4SLC6A4TACR1ITGB3
Fumaric Acid SCHEMBL1936564 0.83 SLC6A4 (0.39) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL1937232 0.81 SLC6A4 (0.44) PDK1HTR4SLC6A4TACR1ACHE
Fumaric Acid SCHEMBL1937182 0.81 HTR4 (0.37) HTR4ACHELMNANPC1

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 6 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
CN-102131780-A Novel piperidine-propionamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN 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
CN-102131780-A Novel piperidine-propionamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN 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 PDK1 358/4885HTR4 16/4885SLC6A4 4/4885

“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.