SCHEMBL8302415

SCHEMBL8302415

CN1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
NR1D2 Q14995 1/20 0.51
GRIN2B Q13224 2/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
BLM P54132 1/20 0.49
GRIN1 Q05586 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL19993075 0.89 NR1D2 (0.49) OPRM1NR1D2
SCHEMBL8302417 0.83 OPRM1 (0.51) OPRM1
SCHEMBL13185171 0.83 HTR2A (0.49) GRIN2B
SCHEMBL28299230 0.83 OPRM1 (0.60) OPRM1GRIN2BGMNNTP53CYP3A4
SCHEMBL10260407 0.82 MAOB (0.61)
SCHEMBL3634313 0.82 EPHX2 (0.48) GRIN2BGMNNTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL7296894 0.82 OPRM1 (0.58) OPRM1GRIN2BGMNNTP53CYP3A4
SCHEMBL21443558 0.81 CCR3 (0.45) GRIN2B
SCHEMBL22278193 0.81 NR1D2 (0.45) NR1D2
SCHEMBL578726 0.81 SLC6A2 (0.52)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512852-B1 TRAF 6 INHIBITORS HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2024-06-26 EP disclosed
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2023-07-06 US disclosed
US-20210017183-A1 TRAF 6 INHIBITORS HELMHOLTZ ZENTRUM MUENCHEN - DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2021-01-21 US disclosed
WO-2020210630-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed
WO-2019180207-A1 TRAF 6 INHIBITORS Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2019-09-26 WO disclosed
WO-2018050286-A1 TRAF 6 INHIBITORS HELMHOLTZ ZENTRUM MUENCHEN - DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-22 WO disclosed
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 US disclosed
EP-1353905-B1 PIPERIDINE/PIPERAZINE-TYPE INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-01-10 EP disclosed
WO-2004101507-A2 N-SULPHONYLATED AMINO ACID DERIVATIVES AND USE THEREOF AS MATRIPTASE INHIBITORS CURACYTE CHEMISTRY GMBH (DE) 2004-11-25 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 (5 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-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS SLC6A2, SLC6A3, SLC6A4 OPRM1 935/4885NR1D2 1204/4885GRIN2B 429/4885
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD OPRM1 3298/4885NR1D2 4619/4885GRIN2B 2630/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD OPRM1 3298/4885NR1D2 4619/4885GRIN2B 2630/4885
US-20210017183-A1 TRAF 6 INHIBITORS TRAF2, TRAF6, TRAFD1 OPRM1 4784/4885NR1D2 3253/4885GRIN2B 4134/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 OPRM1 137/4885NR1D2 632/4885GRIN2B 793/4885

“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.