SCHEMBL2394181

SCHEMBL2394181

COC(=O)c1ccc(C2=CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
HDAC4 P56524 1/20 0.55
CHRM4 P08173 1/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
CHKA P35790 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47

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
SCHEMBL4192586 0.88 HDAC4 (0.56) NAMPTHDAC4MEN1KMT2AALDH1A1
SCHEMBL2396123 0.86 HDAC4 (0.58) NAMPTHDAC4MEN1KMT2AALDH1A1
SCHEMBL4030523 0.86 HDAC4 (0.61) NAMPTHDAC4MEN1KMT2AMAPT
SCHEMBL28044690 0.81 SIGMAR1 (0.47) MEN1KMT2AMAPTSIGMAR1KDM4E
SCHEMBL238334 0.81 MEN1 (0.66) NAMPTHDAC4MEN1KMT2AALDH1A1
SCHEMBL3079800 0.81 MEN1 (0.48) NAMPTCHRM4MEN1KMT2AALDH1A1
SCHEMBL6747177 0.81 NAMPT (0.53) NAMPTHDAC4MEN1KMT2AMAPT
SCHEMBL2395803 0.80 LMNA (0.60) NAMPTHDAC4MEN1KMT2ASIGMAR1
SCHEMBL6585625 0.80 DRD4 (0.63) NAMPTHDAC4MEN1KMT2ASIGMAR1
SCHEMBL15783743 0.80 HDAC4 (0.63) NAMPTHDAC4MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 US disclosed
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 US disclosed
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 US disclosed
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT NEELAKANDHA MANI S 2010-12-23 US disclosed
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT NEELAKANDHA MANI S 2010-12-23 US disclosed
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT NEELAKANDHA MANI S 2010-12-23 US disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
EP-2120572-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
WO-2008079255-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
WO-2008079255-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 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 (5 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NAMPT 1794/4885HDAC4 297/4885CHRM4 4849/4885
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT THPO, DHPS, PIR NAMPT 1792/4885HDAC4 205/4885CHRM4 4454/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NAMPT 1915/4885HDAC4 262/4885CHRM4 4878/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 NAMPT 1794/4885HDAC4 297/4885CHRM4 4849/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR NAMPT 1373/4885HDAC4 177/4885CHRM4 4878/4885

“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.