SCHEMBL5158577

SCHEMBL5158577

CN1CCN(c2ccccc2CC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.46
ROCK2 O75116 3/20 0.42
SLC6A2 P23975 2/20 0.42
NCF1 P14598 1/20 0.39
SLC6A4 P31645 1/20 0.39
GALR3 O60755 1/20 0.39
FPR1 P21462 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR6 P50406 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LIPE Q05469 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL5158579 1.00 FPR2 (0.46) FPR2ROCK2SLC6A2NCF1SLC6A4
SCHEMBL5160777 1.00 FPR2 (0.46) FPR2ROCK2SLC6A2NCF1SLC6A4
Hydrochloric Acid SCHEMBL27460761 0.99 FPR2 (0.45) FPR2ROCK2SLC6A2NCF1SLC6A4
Hydrochloric Acid SCHEMBL6431288 0.98 FPR2 (0.44) FPR2ROCK2SLC6A2NCF1SLC6A4
Hydrochloric Acid SCHEMBL6431284 0.98 FPR2 (0.44) FPR2ROCK2SLC6A2NCF1SLC6A4
SCHEMBL1737760 0.90 ROCK2 (0.41) FPR2ROCK2SLC6A2NCF1SLC6A4
SCHEMBL1737717 0.90 ROCK2 (0.41) FPR2ROCK2SLC6A2NCF1SLC6A4
SCHEMBL1737713 0.90 ROCK2 (0.41) FPR2ROCK2SLC6A2NCF1SLC6A4
SCHEMBL6434969 0.89 ROCK2 (0.44) ROCK2SLC6A2NCF1HTR1AHTR2A
SCHEMBL5606643 0.88 ROCK2 (0.42) FPR2ROCK2NCF1HTR1AHTR2A

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 29 patents — showing the first 20. 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
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 claimed
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 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
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 claimed
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 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-1753460-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-02-21 EP disclosed
EP-1737466-A1 COMBINATION OF y-AMINOBUTYRIC ACID MODULATORS AND 5-HT-1b RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2007-01-03 EP disclosed
EP-1703918-A2 COMBINATION OF CRF ANTAGONISTS AND 5-HT 1B RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2006-09-27 EP disclosed
US-20050256112-A1 Combination of atypical antipsychotics and 5HT-1B receptor antagonists PFIZER INC 2005-11-17 US disclosed
WO-2005107808-A2 COMBINATION OF ATYPICAL ANTIPSYCHOTICS AND 5-HT1B RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-17 WO 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
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 FPR2 539/4885ROCK2 1923/4885SLC6A2 462/4885
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 FPR2 568/4885ROCK2 1403/4885SLC6A2 544/4885
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 FPR2 516/4885ROCK2 4086/4885SLC6A2 450/4885
US-20050256112-A1 Combination of atypical antipsychotics and 5HT-1B receptor antagonists HTR1B, HTR2B, HTR3B FPR2 1345/4885ROCK2 3324/4885SLC6A2 59/4885

“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.