SCHEMBL4097907

SCHEMBL4097907

CN(C)C(=O)C=CC1(c2ccccc2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.45
OPRL1 P41146 9/20 0.45
AKR1C1 Q04828 1/20 0.41
OPRK1 P41145 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HDAC4 P56524 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRCP P42785 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL28249200 0.79 KDM4E (0.47) OPRM1OPRL1AKR1C1OPRK1RXRA
SCHEMBL3408517 0.77 MAPT (0.38) OPRM1SLC6A2SLC6A4SLC6A3RXRA
SCHEMBL8486337 0.77 L3MBTL1 (0.49) OPRM1OPRK1SLC6A4MEN1KMT2A
SCHEMBL8486339 0.77 L3MBTL1 (0.49) OPRM1OPRK1SLC6A4MEN1KMT2A
SCHEMBL8484165 0.75 L3MBTL1 (0.50) OPRM1OPRK1SLC6A4MEN1KMT2A
SCHEMBL8484168 0.75 L3MBTL1 (0.50) OPRM1OPRK1SLC6A4MEN1KMT2A
SCHEMBL2437925 0.74 OPRM1 (0.46) OPRM1OPRL1AKR1C1OPRK1RXRA
SCHEMBL5197233 0.70 AKR1C1 (0.40) OPRM1AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL1334112 0.70 AKR1C1 (0.44) OPRM1OPRL1AKR1C1HDAC4MEN1
SCHEMBL1334113 0.70 AKR1C1 (0.44) OPRM1OPRL1AKR1C1HDAC4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB OPRM1 2868/4885OPRL1 1241/4885AKR1C1 3383/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB OPRM1 2857/4885OPRL1 1214/4885AKR1C1 3420/4885

“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.