SCHEMBL3955382

SCHEMBL3955382

CC(C)(C)N(C(=O)O)[C@@H]1CCN(C(=O)C(c2ccc3ccccc3c2)C2(O)CCCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
ATM Q13315 1/20 0.35
OPRD1 P41143 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL3960216 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL3961040 0.95 OPRD1 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL3959825 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL3953301 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL3954066 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL3960289 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ATM
SCHEMBL3961029 0.85 POLB (0.47) SLC6A2SLC6A4SLC6A3LMNAPOLB
SCHEMBL4498997 0.85 SLC6A2 (0.47) SLC6A2SLC6A4OPRD1ITGB3LMNA
SCHEMBL4499173 0.85 SLC6A2 (0.47) SLC6A2SLC6A4OPRD1ITGB3LMNA
SCHEMBL3953077 0.85 CASR (0.36) CYP2D6ATM

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-7524846-B2 Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2009-04-28 US disclosed
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2005-09-01 US disclosed
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2005-07-07 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 (2 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-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A SLC6A2 108/4885SLC6A4 31/4885SLC6A3 80/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A SLC6A2 63/4885SLC6A4 41/4885SLC6A3 74/4885

“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.