SCHEMBL493501

SCHEMBL493501

CN(C)C(Cc1ccccc1)C1CCC(N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
MAOA P21397 4/20 0.39
SLC6A2 P23975 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX1 P07099 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL493638 0.84 AOC3 (0.39) OPRL1TAAR1AOC3
SCHEMBL4686481 0.74 TAAR1 (0.44) SIGMAR1MAOASLC6A2TAAR1SLC6A4
SCHEMBL4686485 0.74 TAAR1 (0.44) SIGMAR1MAOASLC6A2TAAR1SLC6A4
SCHEMBL493016 0.71 OPRL1 (0.42) OPRL1SLC6A4SLC6A3HTR2AALDH1A1
SCHEMBL26834304 0.71 MAOA (0.41) SIGMAR1MAOASLC6A2TAAR1SLC6A4
SCHEMBL14571863 0.71 SLC6A2 (0.41) SIGMAR1MAOASLC6A2TAAR1SLC6A4
SCHEMBL14606094 0.71 SLC6A2 (0.41) SIGMAR1MAOASLC6A2TAAR1SLC6A4
SCHEMBL14571862 0.71 SLC6A2 (0.41) SIGMAR1MAOASLC6A2TAAR1SLC6A4
SCHEMBL493649 0.71 SLC6A2 (0.41) OPRL1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL493056 0.70 SLC6A2 (0.37) SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3

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 OPRL1 4/4885SIGMAR1 84/4885MAOA 1055/4885

“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.