SCHEMBL6917693

SCHEMBL6917693

CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](c2ccc(Br)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.52
PDE4B Q07343 7/20 0.47
USP30 Q70CQ3 1/20 0.45
FPR2 P25090 3/20 0.44
FPR3 P25089 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
NAMPT P43490 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
TACR1 P25103 2/20 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
SCHEMBL1992736 1.00 RORC (0.52) RORCPDE4BUSP30FPR2FPR3
SCHEMBL19459065 0.88 RORC (0.49) RORCPDE4BUSP30FPR2FPR3
SCHEMBL19490839 0.88 RORC (0.49) RORCPDE4BUSP30FPR2FPR3
SCHEMBL19458917 0.88 RORC (0.49) RORCPDE4BUSP30FPR2FPR3
SCHEMBL24495119 0.88 RORC (0.49) RORCPDE4BUSP30FPR2FPR3
SCHEMBL24495116 0.88 RORC (0.49) RORCPDE4BUSP30FPR2FPR3
SCHEMBL19458918 0.88 RORC (0.49) RORCPDE4BUSP30FPR2FPR3
SCHEMBL16799262 0.88 RORC (0.49) RORCPDE4BUSP30FPR2FPR3
SCHEMBL17514225 0.86 RORC (0.52) RORCPDE4BUSP30NAMPTKCNK3
SCHEMBL20148981 0.86 RORC (0.68) RORCPDE4BUSP30FPR2FPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (3 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R RORC 887/4885PDE4B 1008/4885USP30 3863/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R RORC 887/4885PDE4B 1008/4885USP30 3863/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R RORC 887/4885PDE4B 1008/4885USP30 3863/4885

“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.