SCHEMBL6466632

SCHEMBL6466632

CN(C)CCN(C)c1ccccc1C=C1CCN(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A2 P23975 8/20 0.36
SLC6A4 P31645 8/20 0.36
SLC6A3 Q01959 6/20 0.36
DYRK1A Q13627 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
BCL2A1 Q16548 1/20 0.33
CENPE Q02224 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAT2A P31153 1/20 0.33

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
SCHEMBL6466626 1.00 HTR2A (0.40) HTR2AHTR2CNPC1RAB9AKCNH2
SCHEMBL5606375 0.84 HTR2A (0.38) HTR2AHTR2CNPC1RAB9AKCNH2
SCHEMBL5606377 0.84 HTR2A (0.38) HTR2AHTR2CNPC1RAB9AKCNH2
SCHEMBL6468100 0.83 HTR2C (0.56) HTR2AHTR2CNPC1RAB9AKCNH2
SCHEMBL6464076 0.83 HTR2A (0.40) HTR2AHTR2CNPC1RAB9AKCNH2
SCHEMBL6468095 0.83 HTR2C (0.56) HTR2AHTR2CNPC1RAB9AKCNH2
SCHEMBL6464074 0.83 HTR2A (0.40) HTR2AHTR2CNPC1RAB9AKCNH2
SCHEMBL6431435 0.75 BCL2A1 (0.46) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL6431436 0.75 BCL2A1 (0.46) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL7096733 0.74 DRD2 (0.32) HTR2AHTR2CKCNH2DRD2DRD3

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
US-6924289-B2 Benzyl(Idene)-lactam derivatives, their preparation and their use as selective (ANT) agonists of 5-HT1A- and/or 5-HT1D receptors PFIZER INC (US) 2005-08-02 US disclosed
US-6462048-B2 3-(2-(4-METHYLPIPERAZIN-1-YL)-BENZYLIDENE)-1,3-DIHYDRO-INDOL-2-ONE FOR EXAMPLE; USEFUL AS PSYCHOTHERAPEUTIC AGENTS PFIZER INC. 2002-10-08 US disclosed
US-20020028821-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS HOWARD HARRY R (US) 2002-03-07 US disclosed
EP-0894085-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER INC. (US) 1999-02-03 EP disclosed
WO-1997036867-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER INC. (US) 1997-10-09 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-20020028821-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS HTR1E, HTR1D, HTR1A HTR2A 14/4885HTR2C 7/4885NPC1 991/4885

“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.