SCHEMBL16897486

SCHEMBL16897486

COC(=O)[C@]1(c2ccc(C)cc2)CC[C@@H](NCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
OPRL1 P41146 2/20 0.50
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
ADRA1B P35368 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN2B Q13224 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HTR2C P28335 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL16897487 1.00 OPRM1 (0.50) OPRM1OPRL1ACHEBACE1ADRA1D
SCHEMBL16897590 1.00 OPRM1 (0.50) OPRM1OPRL1ACHEBACE1ADRA1D
SCHEMBL28088799 0.89 OPRM1 (0.53) OPRM1OPRL1ACHEBACE1SMN1; SMN2
SCHEMBL5465979 0.82 ALDH1A1 (0.53) OPRM1OPRL1
SCHEMBL5470962 0.82 ALDH1A1 (0.53) OPRM1OPRL1
SCHEMBL5465983 0.82 ALDH1A1 (0.53) OPRM1OPRL1
SCHEMBL9044015 0.80 OPRM1 (0.53) OPRM1OPRL1ACHEBACE1BCHE
SCHEMBL3644107 0.79 OPRM1 (0.52) OPRM1OPRL1ACHEBACE1BCHE
SCHEMBL18854347 0.78 OPRM1 (0.62) OPRM1OPRL1ACHEBACE1SMN1; SMN2
SCHEMBL18854346 0.78 OPRM1 (0.62) OPRM1OPRL1ACHEBACE1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
EP-3092239-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
US-10131644-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2018-11-20 US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2017-05-18 US disclosed
EP-3092239-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. Hoffmann-La Roche AG (CH) 2016-11-16 EP disclosed
WO-2015104354-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO disclosed
WO-2015104354-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-07-16 WO 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-10131644-B2 Aryl sultam derivatives as RORc modulators RORC, RORB, RORA OPRM1 56/4885OPRL1 521/4885ACHE 3734/4885
US-20170137393-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA OPRM1 56/4885OPRL1 521/4885ACHE 3734/4885

“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.