SCHEMBL376336

SCHEMBL376336

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2Br)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 5/20 0.60
LMNA P02545 1/20 0.60
KDM1A O60341 1/20 0.57
FAAH O00519 1/20 0.56
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
VEGFA P15692 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
CYP2A13 Q16696 1/20 0.48
PLA2G7 Q13093 1/20 0.46
MGLL Q99685 1/20 0.46
ABHD6 Q9BV23 1/20 0.46
MMP1 P03956 1/20 0.46

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
SCHEMBL14456687 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAKDM1AFAAH
SCHEMBL15264521 0.89 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAKDM1AFAAH
SCHEMBL20817743 0.88 VEGFA (0.52) ALDH1A1KDM4ELMNAKDM1AFAAH
SCHEMBL31019444 0.87 CHRM2 (0.51) ALDH1A1KDM4ELMNAKDM1AFAAH
SCHEMBL28569013 0.86 VEGFA (0.69) ALDH1A1KDM4ELMNAKDM1AFAAH
SCHEMBL20831203 0.86 KDM4E (0.46) ALDH1A1KDM4ELMNAKDM1AFAAH
SCHEMBL11900867 0.85 MPO (0.59) ALDH1A1KDM4EKDM1AFAAHCHRM2
SCHEMBL9933216 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAKDM1ACHRM2
SCHEMBL17276773 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAKDM1AFAAH
SCHEMBL15265651 0.84 VEGFA (0.47) ALDH1A1KDM4ELMNAKDM1AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 US disclosed
EP-1765778-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-03-28 EP disclosed
WO-2005117543-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-12-15 WO disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 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 (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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD ALDH1A1 2354/4885KDM4E 1408/4885LMNA 141/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD ALDH1A1 2354/4885KDM4E 1408/4885LMNA 141/4885

“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.