SCHEMBL6430994

SCHEMBL6430994

CN1CCN(c2ccccc2C=C2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV4 Q9HBA0 1/20 0.40
FPR2 P25090 1/20 0.39
SLC6A2 P23975 2/20 0.38
HSD11B1 P28845 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
HTR6 P50406 2/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA2C P18825 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6694235 1.00 MEN1 (0.43) MEN1KMT2ATRPV4FPR2SLC6A2
SCHEMBL6430991 1.00 MEN1 (0.43) MEN1KMT2ATRPV4FPR2SLC6A2
SCHEMBL1737826 0.88 KMT2A (0.42) MEN1KMT2AHTR1AHTR2ADRD2
SCHEMBL1737824 0.88 KMT2A (0.42) MEN1KMT2AHTR1AHTR2ADRD2
SCHEMBL6431233 0.88 KMT2A (0.48) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL6431229 0.88 KMT2A (0.48) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL6431248 0.87 KMT2A (0.46) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL6431251 0.87 KMT2A (0.46) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL6431240 0.86 MEN1 (0.45) MEN1KMT2AHTR1AHTR2ADRD2
SCHEMBL6431236 0.86 MEN1 (0.45) MEN1KMT2AHTR1AHTR2ADRD2

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 18 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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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
EP-1113015-B1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PROD INC (US) 2004-09-15 EP disclosed
CN-1128788-C Benzyl(idene)-lactam derivatives, their prepn. and their use as selective (ant) agaonists of 5-ht1A-and/or 5-ht1D receptors PFIZER (US) 2003-11-26 CN disclosed
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists PFIZER PRODUCTS, INC. 2003-05-01 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
US-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists PFIZER PRODUCTS INC. 2001-11-08 US disclosed
EP-1113015-A1 Optically active 3-((2-piperazinyl-phenyl)methyl)-1-(4-(trifluoromethyl)-phenyl)-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists Pfizer Products Inc. (US) 2001-07-04 EP disclosed
CN-1214043-A Benzyl(idene)-lactam derivatives, their prepn. and their use as selective (ant) agaonists of 5-ht1A-and/or 5-ht1D receptors PFIZER (US) 1999-04-14 CN 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 (4 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-20010039280-A1 Optically active 3-[(2-Piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT 1D receptor selective antagonists HTR1D, HTR1A, HTR5A MEN1 3544/4885KMT2A 2127/4885TRPV4 264/4885
US-20030083337-A1 Optically active 3-[(2-piperazinylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2-pyrrolidinone compounds as 5-HT1D receptor selective antagonists HTR1D, HTR1A, HTR3D MEN1 2846/4885KMT2A 2317/4885TRPV4 227/4885
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 MEN1 1027/4885KMT2A 3996/4885TRPV4 1767/4885
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 MEN1 423/4885KMT2A 2821/4885TRPV4 1951/4885

“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.