SCHEMBL1759419

SCHEMBL1759419

CC(=O)C1CN(Cc2ccccc2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.55
GRIN2B Q13224 3/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
CNR2 P34972 2/20 0.46

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
SCHEMBL3521678 0.88 DRD4 (0.57) DRD4GRIN2BDRD2DRD3CYP1A2
SCHEMBL3519935 0.88 DRD4 (0.57) DRD4GRIN2BDRD2DRD3CYP1A2
SCHEMBL27641050 0.88 DRD4 (0.57) DRD4GRIN2BDRD2DRD3CYP1A2
SCHEMBL159384 0.88 DRD4 (0.57) DRD4GRIN2BDRD2DRD3CYP1A2
SCHEMBL28957814 0.88 DRD4 (0.57) DRD4GRIN2BDRD2DRD3CYP1A2
SCHEMBL12696566 0.87 DRD4 (0.56) DRD4GRIN2BDRD2DRD3CYP1A2
Hydrochloric Acid SCHEMBL12610644 0.87 DRD4 (0.56) DRD4GRIN2BDRD2DRD3CYP1A2
SCHEMBL4129378 0.87 DRD4 (0.56) DRD4GRIN2BDRD2DRD3CYP1A2
Hydrochloric Acid SCHEMBL12610726 0.87 DRD4 (0.56) DRD4GRIN2BDRD2DRD3CYP1A2
SCHEMBL4836218 0.87 DRD4 (0.56) DRD4GRIN2BDRD2DRD3CYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130339-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-06 US disclosed
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 EP disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 US disclosed
EP-2867236-A1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-d]PYRIMIDINES AS LRRK2 INHIBITORS Pfizer Inc. (US) 2015-05-06 EP disclosed
WO-2014001973-A1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-d]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2014-01-03 WO disclosed
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors PFIZER (US) 2014-01-02 US disclosed
WO-2011058478-A1 SUBSTITUTED TRIAZOLOPYRIMIDINES AS PDE8 INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058478-A1 SUBSTITUTED TRIAZOLOPYRIMIDINES AS PDE8 INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
EP-1729754-B1 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES LILLY CO ELI (US) 2008-07-02 EP disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 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-20210130339-A1 COMPOUNDS LRRK2, PARK7, PINK1 DRD4 3690/4885GRIN2B 401/4885DRD2 3167/4885
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 DRD4 57/4885GRIN2B 105/4885DRD2 38/4885
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 DRD4 618/4885GRIN2B 332/4885DRD2 341/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A DRD4 32/4885GRIN2B 1107/4885DRD2 27/4885
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 DRD4 618/4885GRIN2B 332/4885DRD2 341/4885

“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.