SCHEMBL13503591

SCHEMBL13503591

CC(C)C1CCC(N(C(=O)C(C)(C)C)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
OPRM1 P35372 7/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRL1 P41146 2/20 0.38
OPRD1 P41143 2/20 0.37
CHRM3 P20309 2/20 0.36

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
SCHEMBL13503839 0.84 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL13504067 0.84 OPRD1 (0.46) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL23032664 0.83 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL13681387 0.82 KDM4E (0.47) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL13503782 0.81 CHRM2 (0.54) MEN1KMT2AOPRM1TRPM8LMNA
SCHEMBL14409751 0.80 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL13503635 0.79 KDM4E (0.49) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL13681388 0.79 TRPM8 (0.46) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL3630848 0.78 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL13503637 0.78 CHRM3 (0.61) MEN1KMT2ASMN1; SMN2KDM4ENPC1

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-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-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 MEN1 4581/4885KMT2A 3213/4885SMN1; SMN2 328/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD MEN1 4383/4885KMT2A 1794/4885SMN1; SMN2 808/4885

“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.