SCHEMBL15008399

SCHEMBL15008399

CN(C)CCNc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.51
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11696738 0.80 MAPT (0.71) EGFRNOS1NOS2CYP1A2CYP3A4
SCHEMBL10798830 0.80 TAAR1 (0.53) TAAR1NOS1NOS2CYP1A2CYP3A4
SCHEMBL2085942 0.79 GAA (0.51) EGFRTAAR1DRD4DRD3CYP1A2
SCHEMBL25522787 0.79 NOS1 (0.45) NOS1NOS2CYP1A2CYP3A4CYP2D6
SCHEMBL2460900 0.79 CYP2C19 (0.48) DRD3NOS1NOS2CYP1A2CYP3A4
SCHEMBL9827188 0.79 CHRNB2 (0.47) NOS1NOS2CYP1A2CYP3A4CYP2D6
SCHEMBL4663442 0.79 NOS1 (0.51) NOS1NOS2CYP1A2CYP3A4CYP2D6
SCHEMBL11674690 0.77 DRD4 (0.47) EGFRTAAR1DRD4DRD3CYP1A2
SCHEMBL171395 0.77 ALDH1A1 (0.56) TAAR1NOS1NOS2MAPTCYP2C19
SCHEMBL11661296 0.76 F2R (0.54) EGFRDRD4DRD3CYP1A2CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 — — US disclosed
EP-2788349-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-26 — — EP disclosed
US-20160229852-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-11 — — US disclosed
US-9315503-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-19 — — US disclosed
US-20150344475-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-03 — — US disclosed
US-9145413-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-29 — — US disclosed
US-9139584-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-22 — — US disclosed
US-20150080375-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-19 — — US disclosed
US-8907094-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2014-12-09 — — US disclosed
US-20140323470-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-10-30 — — US disclosed
EP-2788349-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-10-15 — — EP disclosed
WO-2013083604-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 — — WO disclosed
US-20130150343-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 — — 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 (5 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-20150344475-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 EGFR 974/4885TAAR1 897/4885DRD4 4842/4885
US-20160229852-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 EGFR 974/4885TAAR1 897/4885DRD4 4842/4885
US-20150080375-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 EGFR 974/4885TAAR1 897/4885DRD4 4842/4885
US-20140323470-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 EGFR 974/4885TAAR1 897/4885DRD4 4842/4885
US-20130150343-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 EGFR 974/4885TAAR1 897/4885DRD4 4842/4885

“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.

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