SCHEMBL3159971

SCHEMBL3159971

CC1(C)CC(c2c[nH]c3ncccc23)CCC1(N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.51
OPRL1 P41146 4/20 0.43
OPRM1 P35372 4/20 0.43
OPRK1 P41145 3/20 0.43
SLC6A4 P31645 1/20 0.40
AXL P30530 3/20 0.36
MET P08581 1/20 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
SCHEMBL3929456 0.80 PDK2 (0.37) HSD11B1
SCHEMBL733177 0.77 HSD11B1 (0.54) HSD11B1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL16719380 0.72 OPRL1 (0.64) HSD11B1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL735185 0.70 OPRM1 (0.50) HSD11B1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL25787927 0.70 OPRL1 (0.65) HSD11B1OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL733924 0.70 OPRM1 (0.49) HSD11B1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL3351276 0.69 OPRL1 (0.57) HSD11B1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL3351315 0.69 OPRL1 (0.57) HSD11B1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL12321753 0.69 OPRL1 (0.57) HSD11B1OPRL1OPRM1OPRK1SLC6A4
SCHEMBL3348838 0.69 OPRL1 (0.57) HSD11B1OPRL1OPRM1OPRK1SLC6A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 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 (1 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 HSD11B1 967/4885OPRL1 1562/4885OPRM1 1029/4885

“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.