SCHEMBL4479843

SCHEMBL4479843

CC1CN(c2ccccc2CC2CCNC2=O)C(C)CN1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.37
HTR2B P41595 4/20 0.37
HTR2A P28223 2/20 0.37
SIGMAR1 Q99720 2/20 0.35
HDAC1 Q13547 1/20 0.33
PIM1 P11309 4/20 0.32
PIM2 Q9P1W9 4/20 0.32
TSHR P16473 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL4475156 0.79 PTGER3 (0.33)
SCHEMBL5611262 0.73 NCF1 (0.46) HTR2CHTR2A
SCHEMBL1737562 0.73 NCF1 (0.46) HTR2CHTR2A
SCHEMBL4732267 0.73 NCF1 (0.46) HTR2CHTR2A
SCHEMBL1740973 0.73 HTR1A (0.47) HTR2CHTR2ASIGMAR1PIM1PIM2
SCHEMBL1737774 0.71 ROCK2 (0.38) HTR2CHTR2BHTR2ASIGMAR1
SCHEMBL4474160 0.71 CHRNA7 (0.39) HTR2CHTR2ATSHR
SCHEMBL7649513 0.71 PIM1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL7649520 0.71 PIM1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL7649510 0.71 PIM1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1

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 HTR2C 13/4885HTR2B 11/4885HTR2A 16/4885

“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.