SCHEMBL6436217

SCHEMBL6436217

CN1CCN(c2ccc(F)cc2C=C2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
BCL2A1 Q16548 2/20 0.43
LMNA P02545 1/20 0.43
BCL2 P10415 1/20 0.43
ALOX12 P18054 1/20 0.43
BID P55957 1/20 0.43
RAD51 Q06609 1/20 0.43
BCL2L1 Q07817 1/20 0.43
BCL2L2 Q92843 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
HSD11B1 P28845 1/20 0.38
HIF1A Q16665 1/20 0.38
WEE1 P30291 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6436235 1.00 MAPT (0.43) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL6430942 0.94 MAPT (0.42) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL6430946 0.94 MAPT (0.42) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL6431142 0.89 MAPT (0.44) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL6431143 0.89 MAPT (0.44) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL6431435 0.87 BCL2A1 (0.46) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL6431436 0.87 BCL2A1 (0.46) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL7703420 0.85 BCL2A1 (0.43) MAPTALDH1A1BCL2A1LMNABCL2
SCHEMBL6431123 0.84 ALDH1A1 (0.42) MAPTALDH1A1ALOX12L3MBTL1SLC6A4
SCHEMBL6431119 0.84 ALDH1A1 (0.42) MAPTALDH1A1ALOX12L3MBTL1SLC6A4

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 12 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-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 MAPT 4480/4885ALDH1A1 1481/4885BCL2A1 1398/4885
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 MAPT 3845/4885ALDH1A1 1595/4885BCL2A1 881/4885

“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.