SCHEMBL6430630

SCHEMBL6430630

CN1CCN(c2ccccc2C=C2CCN(c3ccc(F)c(F)c3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GRM5 P41594 1/20 0.38
BPTF Q12830 1/20 0.37
SLC6A2 P23975 2/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA2C P18825 1/20 0.36
CRBN Q96SW2 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
PTK2B Q14289 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL6430629 1.00 KMT2A (0.43) KMT2AMEN1GRM5BPTFSLC6A2
SCHEMBL6431240 0.86 MEN1 (0.45) KMT2AMEN1HTR1AADRA2CMAPT
SCHEMBL6431236 0.86 MEN1 (0.45) KMT2AMEN1HTR1AADRA2CMAPT
SCHEMBL6431229 0.85 KMT2A (0.48) KMT2AMEN1HTR1AADRA2CTSHR
SCHEMBL6431233 0.85 KMT2A (0.48) KMT2AMEN1HTR1AADRA2CTSHR
SCHEMBL6431436 0.85 BCL2A1 (0.46) KMT2AMEN1SLC6A2HTR1ASLC6A4
SCHEMBL6431435 0.85 BCL2A1 (0.46) KMT2AMEN1SLC6A2HTR1ASLC6A4
SCHEMBL6431248 0.84 KMT2A (0.46) KMT2AMEN1GRM5HTR1AADRA2C
SCHEMBL6431251 0.84 KMT2A (0.46) KMT2AMEN1GRM5HTR1AADRA2C
SCHEMBL6694235 0.83 MEN1 (0.43) KMT2AMEN1SLC6A2HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894085-B1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER (US) 2005-08-17 EP claimed
US-20030027812-A1 Benzyl(idene)-lactam derivatives, their preperation and their use as selective (ant)agonists of 5-HT1A- and/or 5-HT1D receptors PFIZER INC. 2003-02-06 US claimed
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 claimed
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 claimed
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 claimed
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 claimed
EP-0894085-B1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER (US) 2005-08-17 EP disclosed
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-20030027812-A1 Benzyl(idene)-lactam derivatives, their preperation and their use as selective (ant)agonists of 5-HT1A- and/or 5-HT1D receptors PFIZER INC. 2003-02-06 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 (2 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 KMT2A 3996/4885MEN1 1027/4885GRM5 344/4885
US-20030027812-A1 Benzyl(idene)-lactam derivatives, their preperation and their use as selective (ant)agonists of 5-HT1A- and/or 5-HT1D receptors HTR1A, HTR1E, HTR1D KMT2A 2821/4885MEN1 423/4885GRM5 155/4885

“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.