SCHEMBL4479143

SCHEMBL4479143

Cc1ccc(N2CCN(C)CC2)c(CC2CCNC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
ALK Q9UM73 1/20 0.39
HTR1A P08908 2/20 0.38
HTR3A P46098 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR7 P34969 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 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
SCHEMBL1739004 0.88 ALK (0.47) ALKHTR3AALDH1A1KDM4EDRD2
SCHEMBL1738754 0.85 CCR4 (0.39) MAPTUSP2HTR3AALDH1A1KDM4E
SCHEMBL1737562 0.84 NCF1 (0.46) MAPTALKHTR1ADRD2DRD4
SCHEMBL4732267 0.84 NCF1 (0.46) MAPTALKHTR1ADRD2DRD4
SCHEMBL5611262 0.84 NCF1 (0.46) MAPTALKHTR1ADRD2DRD4
SCHEMBL4477563 0.81 ALDH1A1 (0.44) ALKHTR3AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4480301 0.80 NCF1 (0.54) MAPTHTR1AALDH1A1KDM4EDRD2
SCHEMBL4477924 0.77 NCF1 (0.47) MAPTHTR1ADRD2DRD4DRD3
SCHEMBL4467894 0.76 PTGER3 (0.41) MAPTALKHTR1AALDH1A1KDM4E
SCHEMBL12072936 0.74 HTR1A (0.51) MAPTUSP2THRBHTR1AHTR3A

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 MAPT 3813/4885USP2 1804/4885THRB 170/4885

“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.