SCHEMBL13503546

SCHEMBL13503546

COC1(Cc2ccccc2Cl)CCC(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.33
HTT P42858 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL13503562 0.87 P2RX7 (0.33) SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL13503548 0.84 GLA (0.33) KMT2APOLBHTT
SCHEMBL13503627 0.84 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3POLBTACR1
SCHEMBL13503612 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL13503552 0.83 TAAR1 (0.34) ALDH1A1RECQLL3MBTL1TACR1IDO1
SCHEMBL13503628 0.83 OPRL1 (0.36) SLC6A2SLC6A4SLC6A3MAPK1CYP3A4
SCHEMBL13503693 0.83 SLC6A2 (0.39) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL13503691 0.80 GRIN2B (0.40) MEN1KMT2AL3MBTL1
SCHEMBL13503718 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL13503617 0.78 GPR119 (0.34) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD SLC6A2 3655/4885SLC6A4 2214/4885SLC6A3 2795/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD SLC6A2 4418/4885SLC6A4 3627/4885SLC6A3 4343/4885

“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.