SCHEMBL13503552

SCHEMBL13503552

COC1(Cc2ccccc2Br)CCC(C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
TACR1 P25103 1/20 0.33
IDO1 P14902 2/20 0.33
STS P08842 1/20 0.32
CYP27A1 Q02318 1/20 0.32
CYP24A1 Q07973 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PYCR1 P32322 1/20 0.31
TSHR P16473 2/20 0.30
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
OPRL1 P41146 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
SCHEMBL13503627 0.84 SLC6A2 (0.36) TAAR1TACR1
SCHEMBL14028709 0.84 TAAR1 (0.37) TAAR1CARM1PRMT6IDO1STS
SCHEMBL13503693 0.83 SLC6A2 (0.39) TAAR1TACR1IDO1CHRM2CHRM1
SCHEMBL13503628 0.83 OPRL1 (0.36) TAAR1CARM1PRMT6TACR1IDO1
SCHEMBL13503546 0.83 SLC6A2 (0.36) TACR1IDO1ALDH1A1RECQLL3MBTL1
SCHEMBL13503691 0.80 GRIN2B (0.40) L3MBTL1OPRL1
SCHEMBL13504074 0.79 TAAR1 (0.38) TAAR1CARM1PRMT6TACR1STS
SCHEMBL13503617 0.78 GPR119 (0.34) OPRL1
SCHEMBL13503562 0.76 P2RX7 (0.33) OPRL1
SCHEMBL376658 0.75 TAAR1 (0.37) TAAR1IDO1STSCYP27A1CYP24A1

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 TAAR1 4663/4885CARM1 1560/4885PRMT6 684/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD TAAR1 4636/4885CARM1 908/4885PRMT6 965/4885

“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.