SCHEMBL14082188

SCHEMBL14082188

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.67
TMEM97 Q5BJF2 2/20 0.67
SLC6A12 P48065 2/20 0.67
MCHR1 Q99705 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
PRKAB2 O43741 1/20 0.66
PRKAG1 P54619 1/20 0.66
PRKAA2 P54646 1/20 0.66
PRKAA1 Q13131 1/20 0.66
PRKAG3 Q9UGI9 1/20 0.66
PRKAG2 Q9UGJ0 1/20 0.66
PRKAB1 Q9Y478 1/20 0.66
DRD4 P21917 6/20 0.65
DRD2 P14416 4/20 0.65

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
SCHEMBL14082317 0.88 KMT2A (0.62) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL7218186 0.86 DRD4 (0.86) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL694949 0.86 SIGMAR1 (0.82) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL2073964 0.86 PRKAA2 (0.78) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL14082643 0.84 DRD4 (0.67) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL14082141 0.84 TMEM97 (0.63) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL61848 0.84 TMEM97 (0.83) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL14082199 0.83 MEN1 (0.65) MCHR1KMT2AMEN1SMN1; SMN2
SCHEMBL2070563 0.83 SIGMAR1 (0.74) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL61850 0.83 DRD2 (0.66) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2

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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 SIGMAR1 483/4885TMEM97 578/4885SLC6A12 2392/4885

“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.