SCHEMBL13503554

SCHEMBL13503554

COC1(Cc2ccc(Cl)c(Cl)c2)CCC(C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.40
SLC6A3 Q01959 14/20 0.40
SLC6A2 P23975 9/20 0.40
PNMT P11086 1/20 0.39
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
KCNH2 Q12809 3/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 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
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13503564 0.85 FPR2 (0.41) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL13681460 0.85 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2TSHRMEN1
SCHEMBL13503666 0.83 PNMT (0.41) SLC6A4SLC6A3SLC6A2PNMTTSHR
SCHEMBL13504048 0.82 TACR1 (0.33)
SCHEMBL13503660 0.81 ALDH1A1 (0.33) SLC6A4SLC6A3SLC6A2
SCHEMBL13503935 0.80 AQP3 (0.43) SLC6A4SLC6A2
SCHEMBL13503746 0.80 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2PNMTTMEM97
SCHEMBL13503659 0.79 AQP1 (0.44) SLC6A4SLC6A3SLC6A2TSHRMEN1
SCHEMBL13503668 0.79 SLC6A4 (0.39) SLC6A4MEN1KMT2A
SCHEMBL13503691 0.79 GRIN2B (0.40) MEN1KMT2A

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-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
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 SLC6A4 2214/4885SLC6A3 2795/4885SLC6A2 3655/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD SLC6A4 3627/4885SLC6A3 4343/4885SLC6A2 4418/4885

“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.