SCHEMBL1936657

SCHEMBL1936657

CCN(C(=O)CC1CCNCC1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
MAOA P21397 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.43
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
MAPT P10636 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
Hydrochloric Acid SCHEMBL1935529 0.99 ALDH1A1 (0.49) ALDH1A1TSHRKDM4ELMNANPSR1
SCHEMBL1936794 0.84 ALDH1A1 (0.64) ALDH1A1TSHRKDM4ELMNANPSR1
SCHEMBL2398246 0.81 SLC6A4 (0.49) SLC6A4KCNH2SLC6A2SLC6A3OPRK1
Hydrochloric Acid SCHEMBL2397591 0.80 SLC6A4 (0.48) SLC6A4KCNH2SLC6A2SLC6A3OPRK1
Fumaric Acid SCHEMBL1934728 0.79 ALDH1A1 (0.60) ALDH1A1TSHRKDM4ELMNANPSR1
SCHEMBL2394407 0.76 SLC6A4 (0.46) MAOASLC6A4KCNH2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7573310 0.74 SIGMAR1 (0.57) ALDH1A1TSHRKDM4ELMNANPSR1
SCHEMBL2398995 0.74 SLC6A4 (0.45) SLC6A4KCNH2SLC6A2SLC6A3OPRK1
SCHEMBL1937032 0.73 CHRM1 (0.47) ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL2398798 0.73 SLC6A2 (0.43) SLC6A4KCNH2SLC6A2SLC6A3

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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US claimed
EP-2331505-A2 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2011-06-15 EP claimed
WO-2010023197-A2 NOVEL PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-03-04 WO claimed
US-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US 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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 ALDH1A1 170/4885TSHR 1710/4885KDM4E 747/4885

“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.