SCHEMBL13503692

SCHEMBL13503692

CC(C)C1CCC(Cc2ccccc2)(OCCN2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ OPRL1 P41146 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ CNR2 P34972 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL13503661 0.90 LTA4H (0.40) LTA4HDRD1DRD4DRD5SIGMAR1
SCHEMBL14028115 0.87 LTA4H (0.46) LTA4HALDH1A1DRD1DRD4DRD5
SCHEMBL13503990 0.76 CYP3A4 (0.47) LTA4HDRD1DRD4DRD5SIGMAR1
SCHEMBL13504042 0.76 AQP3 (0.55) OPRM1OPRK1OPRL1LTA4HALDH1A1
SCHEMBL13503985 0.74 AQP3 (0.47) OPRM1OPRL1DRD1SIGMAR1POLB
SCHEMBL13503691 0.74 GRIN2B (0.40) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL18673331 0.68 LTA4H (0.57) LTA4HALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL1111733 0.66 KDM4E (0.47) LTA4HALDH1A1DRD1DRD4DRD5
SCHEMBL3956065 0.66 KDM4E (0.47) LTA4HALDH1A1DRD1DRD4DRD5
SCHEMBL14652222 0.66 NPC1 (0.46) OPRM1OPRD1OPRK1OPRL1CNR2

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
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
EP-1487811-B1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LAB (US) 2007-09-05 — — EP 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 OPRM1 3345/4885OPRD1 3666/4885OPRK1 3046/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD OPRM1 3671/4885OPRD1 3537/4885OPRK1 2993/4885

“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.

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