SCHEMBL1737649

SCHEMBL1737649

CN1CCCN(c2ccccc2C=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.55
ADRA2C P18825 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
EGFR P00533 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.44
DRD4 P21917 2/20 0.42
HTR2A P28223 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MC4R P32245 1/20 0.40

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
SCHEMBL31376167 0.93 ADRA2C (0.55) NCF1ADRA2CKMT2AMEN1DRD2
SCHEMBL414216 0.93 ADRA2C (0.55) NCF1ADRA2CKMT2AMEN1DRD2
Hydrochloric Acid SCHEMBL5154521 0.92 ADRA2C (0.53) NCF1ADRA2CKMT2AMEN1DRD2
SCHEMBL23064633 0.88 MEN1 (0.48) KMT2AMEN1LMNAMAPK1EGFR
SCHEMBL3220834 0.84 ALDH1A1 (0.50) KMT2AMEN1LMNAMAPK1EGFR
SCHEMBL31167266 0.83 KEAP1 (0.52) KMT2AMEN1LMNAMAPK1EGFR
SCHEMBL28452171 0.83 KEAP1 (0.52) KMT2AMEN1LMNAMAPK1EGFR
SCHEMBL1982675 0.83 KEAP1 (0.52) KMT2AMEN1LMNAMAPK1EGFR
SCHEMBL3688200 0.79 ALDH1A1 (0.41) NCF1KMT2AMEN1LMNAMAPK1
SCHEMBL3582553 0.79 DRD2 (0.47) ADRA2CKMT2AMEN1DRD2DRD3

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-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
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 NCF1 4634/4885ADRA2C 41/4885KMT2A 3466/4885

“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.