SCHEMBL13503566

SCHEMBL13503566

CC(C)C1CCC(=Cc2cccc(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
OPRL1 P41146 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
PTGS2 P35354 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
SCHEMBL13503573 0.88 MAPT (0.46) MAPTOPRL1
SCHEMBL13503594 0.86 SRD5A2 (0.32)
SCHEMBL13503723 0.85 MAPT (0.33) MAPT
SCHEMBL13503641 0.83 IKBKB (0.37) MAPTDRD2DRD3OPRL1OPRM1
SCHEMBL13503835 0.83 KMT2A (0.35) MAPTGPR55PTGS2
SCHEMBL17684194 0.81 GPR55 (0.34) MAPTDRD2DRD3GPR55PTGS2
SCHEMBL13504064 0.76 NFE2L2 (0.37) MAPTOPRL1OPRM1OPRK1
SCHEMBL13503716 0.76 SRD5A2 (0.38) OPRL1OPRM1OPRK1GPR55PTGS2
SCHEMBL14409763 0.75 OPRM1 (0.31) OPRL1OPRM1OPRK1
SCHEMBL13503572 0.75 MAPT (0.46) MAPT

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 5 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-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 MAPT 4694/4885DRD2 4672/4885DRD3 4784/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD MAPT 4433/4885DRD2 4643/4885DRD3 4757/4885

“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.