SCHEMBL1739004

SCHEMBL1739004

CN1CCN(c2ccc(F)cc2CC2CCNC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MAPK7 Q13164 2/20 0.37
LRRK2 Q5S007 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CRBN Q96SW2 1/20 0.36
DPP4 P27487 3/20 0.36
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 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
SCHEMBL4477563 0.93 ALDH1A1 (0.44) ALKALDH1A1L3MBTL1GRIA1GRIA2
SCHEMBL4479143 0.88 MAPT (0.39) ALKALDH1A1L3MBTL1MAPK7LRRK2
SCHEMBL1738754 0.85 CCR4 (0.39) ALDH1A1L3MBTL1HTR3EHTR3BHTR3A
SCHEMBL1737562 0.84 NCF1 (0.46) ALKDRD2DRD4DRD3
SCHEMBL4732267 0.84 NCF1 (0.46) ALKDRD2DRD4DRD3
SCHEMBL5611262 0.84 NCF1 (0.46) ALKDRD2DRD4DRD3
SCHEMBL4480301 0.80 NCF1 (0.54) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL4467894 0.79 PTGER3 (0.41) ALKALDH1A1SMN1; SMN2CRBNKDM4E
SCHEMBL4477924 0.77 NCF1 (0.47) DRD2DRD4DRD3
SCHEMBL5166529 0.74 CHIA (0.43) ALKHTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US disclosed
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 CN disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 EP disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 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-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A ALK 859/4885ALDH1A1 411/4885L3MBTL1 1098/4885

“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.