SCHEMBL19711166

SCHEMBL19711166

Cc1cccc(CN(C)C2COC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 2/20 0.39
GRIN2B Q13224 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL19711167 0.84 GRIN2B (0.38) SLC6A2SLC6A4SLC6A3GRIN2BHRH3
SCHEMBL13132647 0.81 GRIN2B (0.49) GRIN2BHSP90AA1HRH3
SCHEMBL19701929 0.80 BACE1 (0.39) SLC6A2SLC6A4SLC6A3GRIN2BHRH3
SCHEMBL13541680 0.78 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL18716730 0.77 KDM4E (0.60) SLC6A2SLC6A4SLC6A3GRIN2BHRH3
SCHEMBL25487549 0.74 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3GRIN2BHRH3
SCHEMBL19710803 0.73 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3LMNACYP2D6
SCHEMBL12857 0.73 ALDH1A1 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL23513906 0.71 ACHE (0.38) LMNACYP2C9CYP2C19
SCHEMBL27794052 0.71 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9

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
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 SLC6A2 3622/4885SLC6A4 2991/4885SLC6A3 1069/4885

“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.