SCHEMBL376997

SCHEMBL376997

COC1(Cc2ccccc2Br)CCC2(CC1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
CYP2A13 Q16696 1/20 0.35
IDO1 P14902 2/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PYCR1 P32322 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
C5AR1 P21730 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL376813 0.84 MAPK1 (0.38) TAAR1CYP2A13L3MBTL1ALDH1A1TSHR
SCHEMBL376854 0.83 ALDH1A1 (0.38) CYP2A13IDO1SLC6A4SLC6A3L3MBTL1
SCHEMBL377003 0.83 ALDH1A1 (0.38) TAAR1CYP2A13IDO1L3MBTL1ALDH1A1
SCHEMBL4821650 0.79 MAOA (0.38) L3MBTL1ALDH1A1TSHRGAAPOLB
SCHEMBL376848 0.78 CYP2A13 (0.37) TAAR1CYP2A13IDO1L3MBTL1ALDH1A1
SCHEMBL376658 0.77 TAAR1 (0.37) TAAR1IDO1PYCR1ALDH1A1
SCHEMBL14028709 0.77 TAAR1 (0.37) TAAR1IDO1PYCR1ALDH1A1GAA
SCHEMBL13503552 0.73 TAAR1 (0.34) TAAR1IDO1PYCR1L3MBTL1ALDH1A1
SCHEMBL376343 0.68 ALDH1A1 (0.41) SLC6A4L3MBTL1ALDH1A1TSHR
SCHEMBL376704 0.67 CHRNA10 (0.40) L3MBTL1POLB

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 6 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-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 TAAR1 4636/4885CYP2A13 4087/4885IDO1 4425/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD TAAR1 4636/4885CYP2A13 4087/4885IDO1 4425/4885

“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.