SCHEMBL4836715

SCHEMBL4836715

CC(C)c1ccc2c(c1)C(N)=Nc1ccccc1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM1 P11229 6/20 0.38
DRD2 P14416 5/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 2/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.37
NOS2 P35228 2/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
IGF1R P08069 1/20 0.35
PDGFRB P09619 1/20 0.35
GLB1 P16278 1/20 0.35
CTRC Q99895 1/20 0.35
DRD1 P21728 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
Hydrochloric Acid SCHEMBL4845699 0.99 MAPT (0.39) MAPTRAB9ANPSR1CHRM1DRD2
SCHEMBL14156612 0.83 DRD2 (0.42) MAPTRAB9ANPSR1CHRM1DRD2
SCHEMBL14156603 0.83 CHRM1 (0.44) MAPTCHRM1DRD2DRD1KCNH2
SCHEMBL14156598 0.82 MAPT (0.47) MAPTRAB9ANPSR1CHRM1DRD2
Hydrochloric Acid SCHEMBL4840974 0.82 DRD2 (0.41) MAPTRAB9ANPSR1CHRM1DRD2
Hydrochloric Acid SCHEMBL4839557 0.82 CHRM1 (0.43) MAPTCHRM1DRD2DRD1KCNH2
Hydrochloric Acid SCHEMBL4845362 0.81 MAPT (0.46) MAPTRAB9ANPSR1CHRM1DRD2
SCHEMBL4204909 0.81 CYP1A2 (0.48) MAPTCHRM1DRD2DRD4DRD3
SCHEMBL14156673 0.81 ROS1 (0.51) RAB9ANPSR1CHRM1DRD2DRD4
Hydrochloric Acid SCHEMBL5557868 0.80 CYP1A2 (0.47) MAPTCHRM1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 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 (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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 MAPT 2103/4885RAB9A 1351/4885NPSR1 64/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 MAPT 1793/4885RAB9A 2493/4885NPSR1 25/4885

“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.