SCHEMBL9972938

SCHEMBL9972938

CC(C)(C)COC(=O)CC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.38
GABRB2 P47870 3/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRR1 P24046 1/20 0.38
MIF P14174 2/20 0.36
EPHX1 P07099 1/20 0.36
ALOX15 P16050 2/20 0.34
MAOA P21397 1/20 0.34
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL12196314 0.87 MIF (0.40) MIFALDH1A1L3MBTL1
SCHEMBL9972903 0.82 L3MBTL1 (0.42) MIFEPHX1ALDH1A1L3MBTL1
SCHEMBL40428 0.80 MGAM (0.41) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL1967967 0.79 GNAI3 (0.41) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL1201132 0.79 GABRA5 (0.40) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL5268462 0.78 GABRA5 (0.42) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL25221306 0.77 SLC6A1 (0.39) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL9974687 0.77 GNAI3 (0.40) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL27410448 0.77 GABRA5 (0.41) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL27295498 0.76 SLC6A1 (0.38) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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-20190135812-A1 NOVEL ARYL HYDROCARBON RECEPTOR LIGANDS DERIVED FROM KYNURENINE WISCONSIN ALUMNI RESEARCH FOUNDATION 2019-05-09 US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 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-20190135812-A1 NOVEL ARYL HYDROCARBON RECEPTOR LIGANDS DERIVED FROM KYNURENINE AHR, ARNT, HCAR1 GABRA5 813/4885GABRB2 1000/4885SLC6A1 3836/4885
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 GABRA5 777/4885GABRB2 876/4885SLC6A1 629/4885

“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.