SCHEMBL3727474

SCHEMBL3727474

CC(C)(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(NCC5CC5)nc(-c5ccccn5)c4)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR39 O43194 7/20 0.47
ACHE P22303 1/20 0.39
PDE2A O00408 1/20 0.36
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
HIF1A Q16665 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL3722419 0.92 GPR39 (0.48) GPR39ACHEDRD2DRD4DRD3
SCHEMBL3720297 0.89 GPR39 (0.38) GPR39ACHEPDE2ADRD2DRD4
SCHEMBL3715855 0.87 GPR39 (0.43) GPR39ACHEPDE2ADRD2DRD4
SCHEMBL3717600 0.87 GPR39 (0.41) GPR39ACHEPDE2ADRD2DRD4
SCHEMBL3729038 0.86 DRD2 (0.37) PDE2ADRD2DRD4DRD3HCRTR1
SCHEMBL3718385 0.84 DRD2 (0.38) PDE2ADRD2DRD4DRD3HCRTR1
SCHEMBL3727903 0.84 DRD2 (0.37) PDE2ADRD2DRD4DRD3HCRTR1
SCHEMBL3718095 0.80 GPR39 (0.39) GPR39ACHEDRD2DRD4DRD3
SCHEMBL3721898 0.79 GPR39 (0.44) GPR39ACHEDRD2DRD4DRD3
SCHEMBL3719893 0.79 GSK3B (0.43) DRD2DRD4DRD3GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK GPR39 222/4885ACHE 1713/4885PDE2A 3105/4885

“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.