SCHEMBL3183103

SCHEMBL3183103

CC(C)(C)OC(=O)N1CCC[C@H]1Cc1c[nH]c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
HTR2A P28223 3/20 0.42
CHEK2 O96017 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41

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
SCHEMBL3172800 1.00 KDM4E (0.47) KDM4EPOLBHTR2ACHEK2GABRA1
SCHEMBL3172790 1.00 KDM4E (0.47) KDM4EPOLBHTR2ACHEK2GABRA1
SCHEMBL3177296 0.84 GABRA1 (0.46) HTR2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL3179249 0.84 GABRA1 (0.46) HTR2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL3181673 0.84 GABRA1 (0.46) HTR2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL7501452 0.84 POLB (0.45) KDM4EPOLBHTR2AHTR6OPRD1
SCHEMBL3241617 0.84 HTR2A (0.41) HTR2AGABRA1GABRG2GABRB3GABRA3
SCHEMBL12167363 0.84 HTR6 (0.60) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL12303282 0.84 HTR6 (0.60) POLBGABRA1GABRG2GABRB3GABRA3
SCHEMBL13532404 0.82 POLB (0.49) KDM4EPOLB

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-20100022581-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 US disclosed
US-20100022581-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 US disclosed
US-20100022581-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 US disclosed
WO-2010002802-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO 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-20100022581-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1A, HTR5A KDM4E 1377/4885POLB 2664/4885HTR2A 8/4885

“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.