SCHEMBL4467894

SCHEMBL4467894

CN1CCN(c2cccc(F)c2CC2CCNC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALK Q9UM73 1/20 0.37
CRBN Q96SW2 1/20 0.36

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
SCHEMBL4732267 0.84 NCF1 (0.46) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL5611262 0.84 NCF1 (0.46) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL1737562 0.84 NCF1 (0.46) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL4480301 0.80 NCF1 (0.54) ALDH1A1KDM4EPOLBDRD2DRD3
SCHEMBL4477924 0.80 NCF1 (0.47) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL1739004 0.79 ALK (0.47) ALDH1A1KDM4EDRD2DRD3DRD4
SCHEMBL4479143 0.76 MAPT (0.39) ALDH1A1KDM4EDRD2DRD3HTR1A
SCHEMBL5813092 0.74 CXCR4 (0.37) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL4477563 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ALKCRBN
SCHEMBL5166529 0.74 CHIA (0.43) ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 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 (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 PTGER3 311/4885ALDH1A1 411/4885KDM4E 1710/4885

“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.