SCHEMBL493011

SCHEMBL493011

NCC1CCC([CH]CCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR2A P28223 2/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
F2 P00734 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
MAOA P21397 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
PRKCQ Q04759 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL25239973 0.88 HRH3 (0.44) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL27751855 0.87 HTR2A (0.41) SLC6A2SLC6A4SLC6A3HTR2ACYP2A6
SCHEMBL20896988 0.80 OPRM1 (0.44) HRH3OPRM1OPRD1OPRK1
SCHEMBL1005726 0.79 G6PC1 (0.47) SMN1; SMN2TAAR1HRH3
SCHEMBL25992610 0.77 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR2ACYP2A6
Benzylamine SCHEMBL28194825 0.74 LOXL2 (0.64) SLC6A2SLC6A4SLC6A3HTR2ACYP2A6
SCHEMBL5525779 0.72 GBA1 (0.59) CCR3
SCHEMBL5525774 0.72 GBA1 (0.59) CCR3
Ethylbenzene SCHEMBL29268284 0.71 TP53 (0.58) SLC6A2SLC6A4SLC6A3HTR2ACYP2A6
SCHEMBL5513756 0.70 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2ACYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SLC6A2 2372/4885SLC6A4 2704/4885SLC6A3 3945/4885

“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.