SCHEMBL6434969

SCHEMBL6434969

CN1CCN(c2ccccc2CC2CCN(c3ccccc3)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.44
NCF1 P14598 1/20 0.44
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
HTR2C P28335 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA2C P18825 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
BRD9 Q9H8M2 6/20 0.41
BRPF1 P55201 3/20 0.41
BRD4 O60885 2/20 0.41
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
BRD7 Q9NPI1 2/20 0.39

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
SCHEMBL5158577 0.89 FPR2 (0.46) ROCK2NCF1DRD2DRD3DRD4
SCHEMBL1738781 0.89 ROCK2 (0.42) ROCK2NCF1DRD2DRD3DRD4
SCHEMBL1737229 0.89 ROCK2 (0.42) ROCK2NCF1DRD2DRD3DRD4
SCHEMBL5160777 0.89 FPR2 (0.46) ROCK2NCF1DRD2DRD3DRD4
SCHEMBL5158579 0.89 FPR2 (0.46) ROCK2NCF1DRD2DRD3DRD4
SCHEMBL1738449 0.89 ROCK2 (0.42) ROCK2NCF1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL27460761 0.88 FPR2 (0.45) ROCK2NCF1DRD2DRD3DRD4
SCHEMBL1737588 0.87 ROCK2 (0.50) ROCK2NCF1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL6431288 0.87 FPR2 (0.44) ROCK2NCF1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL6431284 0.87 FPR2 (0.44) ROCK2NCF1DRD2DRD3DRD4

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
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 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
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 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
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-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
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 (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 ROCK2 4086/4885NCF1 3822/4885DRD2 68/4885
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 ROCK2 4025/4885NCF1 3794/4885DRD2 79/4885

“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.