SCHEMBL1937237

SCHEMBL1937237

CCN(C(=O)CCC1CCN(C)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.43
CCR5 P51681 7/20 0.40
PGR P06401 1/20 0.39
ACHE P22303 1/20 0.39
UTS2R Q9UKP6 3/20 0.39
OPRK1 P41145 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
TACR2 P21452 1/20 0.38

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 SCHEMBL1936426 0.94 HTR4 (0.39) HTR4CCR5PGRACHEUTS2R
SCHEMBL2541058 0.93 CCR5 (0.41) HTR4CCR5PGRACHECHRM3
SCHEMBL3364749 0.91 ACHE (0.43) HTR4CCR5PGRACHEUTS2R
SCHEMBL1937163 0.90 HTR4 (0.41) HTR4PGRACHEOPRM1
SCHEMBL2395603 0.88 CCR5 (0.41) CCR5PGRUTS2ROPRK1CHRM3
Fumaric Acid SCHEMBL2548804 0.88 CCR5 (0.38) HTR4CCR5PGRACHESLC6A2
Hydrochloric Acid SCHEMBL2396854 0.87 OPRM1 (0.41) CCR5PGRUTS2ROPRK1CHRM3
SCHEMBL1936605 0.86 HTR4 (0.44) HTR4UTS2ROPRK1CHRM3SLC6A2
Fumaric Acid SCHEMBL1936521 0.85 ACHE (0.41) HTR4CCR5PGRACHEUTS2R
SCHEMBL1937662 0.85 SLC6A4 (0.46) HTR4ACHEOPRK1SLC6A2SLC6A4

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
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 claimed
WO-2010023196-A2 NOVEL PIPERIDINE-PROPIONAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-03-04 WO 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 HTR4 16/4885CCR5 881/4885PGR 2100/4885

“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.