SCHEMBL3718385

SCHEMBL3718385

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.38
DRD4 P21917 9/20 0.38
DRD3 P35462 9/20 0.38
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR1A P08908 1/20 0.36
PDE2A O00408 1/20 0.35
TGFBR1 P36897 1/20 0.34
CXCR4 P61073 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LSS P48449 1/20 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
SCHEMBL3727903 0.94 DRD2 (0.37) DRD2DRD4DRD3MAPTJAK2
SCHEMBL3718489 0.91 DRD2 (0.41) DRD2DRD4DRD3JAK2ALDH1A1
SCHEMBL3720795 0.88 DRD2 (0.38) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL3729038 0.85 DRD2 (0.37) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL3727474 0.84 GPR39 (0.47) DRD2DRD4DRD3PDE2AHCRTR1
SCHEMBL3720297 0.84 GPR39 (0.38) DRD2DRD4DRD3MAPTPDE2A
SCHEMBL3715855 0.83 GPR39 (0.43) DRD2DRD4DRD3MAPTPDE2A
SCHEMBL3717600 0.83 GPR39 (0.41) DRD2DRD4DRD3MAPTPDE2A
SCHEMBL3718534 0.80 DRD2 (0.42) DRD2DRD4DRD3JAK2ALDH1A1
SCHEMBL3717465 0.79 DRD2 (0.41) DRD2DRD4DRD3ALDH1A1TGFBR1

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 DRD2 2577/4885DRD4 2342/4885DRD3 1965/4885

“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.