SCHEMBL5608320

SCHEMBL5608320

CC12CC3CC(C1)CC([N+](=O)[O-])(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PGR P06401 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MPI P34949 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL28118949 0.91 EPHX2 (0.39) TSHRPGRNPC1RAB9ACRHBP
SCHEMBL5608457 0.85 CRHBP (0.39) PGRNPC1RAB9ACRHBPCRHR2
SCHEMBL1073402 0.82 GRIN1 (0.43) CRHBPCRHR2EPHX2LMNAMAPT
SCHEMBL5608934 0.82 GRIN1 (0.39) CRHBPCRHR2EPHX2LMNAMAPT
SCHEMBL5803834 0.78 PKM (0.45) TSHRNPC1RAB9ACRHBPCRHR2
SCHEMBL1497436 0.76 NPC1 (0.31) NPC1RAB9A
SCHEMBL5191921 0.76 PKM (0.48) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL1200529 0.75 GRIN2D (0.35) TSHRCRHBPCRHR2EPHX2L3MBTL1
SCHEMBL7450742 0.74 THRB (0.36) NPC1RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL6228624 0.73 GRIN1 (0.58) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440720-B2 Methods of use of antiviral compounds INFLUMEDIX, INC. (US) 2013-05-14 US disclosed
US-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS INFLUMEDIX, INC. 2011-03-17 US disclosed
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
EP-0897747-B1 NITRATION OR CARBOXYLATION CATALYSTS DAICEL CHEM (JP) 2006-04-05 EP disclosed
EP-1574495-A1 Adamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-1574494-A1 Adamantane derivative Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 EP disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 EP 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-20110065766-A1 METHODS OF USE OF ANTIVIRAL COMPOUNDS MAVS, SLC30A5, HAVCR2 TSHR 3751/4885PGR 4551/4885NPC1 843/4885

“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.