SCHEMBL6430788

SCHEMBL6430788

CN1CCN(c2ccccc2C=C2CCCN(Cc3ccc(Cl)cc3)C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.47
P2RX7 Q99572 2/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40

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
SCHEMBL6431775 1.00 HDAC1 (0.47) HDAC1P2RX7NPBWR1MCHR1MEN1
SCHEMBL6431453 0.94 P2RX7 (0.46) HDAC1P2RX7NPBWR1MCHR1MEN1
SCHEMBL6431456 0.94 P2RX7 (0.46) HDAC1P2RX7NPBWR1MCHR1MEN1
SCHEMBL6433633 0.90 HDAC1 (0.47) HDAC1MEN1KMT2ADRD2DRD4
SCHEMBL6431012 0.90 HDAC1 (0.47) HDAC1MEN1KMT2ADRD2DRD4
SCHEMBL6436516 0.85 MEN1 (0.43) NPBWR1MCHR1MEN1KMT2ADRD2
SCHEMBL6436522 0.85 MEN1 (0.43) NPBWR1MCHR1MEN1KMT2ADRD2
SCHEMBL6434981 0.81 P2RX7 (0.50) P2RX7MEN1KMT2A
SCHEMBL6434976 0.81 P2RX7 (0.50) P2RX7MEN1KMT2A
SCHEMBL6431236 0.81 MEN1 (0.45) NPBWR1MCHR1MEN1KMT2ADRD2

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 15 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-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 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
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
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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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 HDAC1 1437/4885P2RX7 332/4885NPBWR1 291/4885
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 HDAC1 1390/4885P2RX7 93/4885NPBWR1 364/4885

“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.