SCHEMBL6449173

SCHEMBL6449173

CN1CCN(c2ccccc2C=C2CN(c3ccc(Cl)c(Cl)c3)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
BCL2 P10415 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
BID P55957 1/20 0.46
RAD51 Q06609 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BCL2L2 Q92843 1/20 0.46
SLC6A2 P23975 14/20 0.44
SLC6A4 P31645 14/20 0.44
KCNH2 Q12809 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 12/20 0.42
CYP2D6 P10635 4/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL6449171 1.00 BCL2A1 (0.46) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL6431436 0.90 BCL2A1 (0.46) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL6431435 0.90 BCL2A1 (0.46) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL6431417 0.89 BCL2A1 (0.44) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL6431421 0.89 BCL2A1 (0.44) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL5606026 0.84 BCL2A1 (0.46) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL5606021 0.84 BCL2A1 (0.46) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL6432500 0.83 BCL2A1 (0.43) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL6432501 0.83 BCL2A1 (0.43) BCL2A1ALDH1A1LMNABCL2MAPT
SCHEMBL5606554 0.82 BCL2A1 (0.44) BCL2A1ALDH1A1LMNABCL2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 BCL2A1 881/4885ALDH1A1 1595/4885LMNA 140/4885

“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.