Sugi Predict

Sugi Predict / Compounds / SCHEMBL2215316

SCHEMBL2215316

SCHEMBL2215316

CCN(CCN)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.55
▸ AOC3 Q16853 1/20 0.46
▸ TAAR1 Q96RJ0 4/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ PSMD14 O00487 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ PRMT8 Q9NR22 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42

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
Hydrochloric Acid SCHEMBL28773314 0.98 TSHR (0.53) TSHRAOC3TAAR1CNR2ALDH1A1
SCHEMBL3868886 0.88 TSHR (0.52) TSHRTAAR1CNR2ALDH1A1CYP3A4
SCHEMBL9100655 0.86 CARM1 (0.45) TSHRTAAR1ALDH1A1CYP3A4TDP1
SCHEMBL10678638 0.86 TSHR (0.64) TSHRTAAR1CNR2ALDH1A1CYP3A4
SCHEMBL24830074 0.86 TSHR (0.50) TSHRTAAR1CNR2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7104055 0.86 TSHR (0.50) TSHRTAAR1CNR2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8619258 0.86 TSHR (0.50) TSHRTAAR1CNR2ALDH1A1CYP3A4
SCHEMBL14625562 0.85 TSHR (0.44) TSHRTAAR1CNR2L3MBTL1MAPT
SCHEMBL11142653 0.82 TSHR (0.59) TSHRTAAR1CNR2ALDH1A1CYP3A4
SCHEMBL2917098 0.82 TSHR (0.59) TSHRTAAR1CNR2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US claimed
CN-101686952-A Novel agents of calcium ion channel modulators VM DISCOVERY INC 2010-03-31 — — CN claimed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 — — EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 — — WO claimed
WO-2024074814-A9 COMPOSITION COMPRISING A FUNCTIONALISED DYE AND A DIALLYLAMINE COMONOMER AND USE THEREOF SUBLINO LIMITED (GB) 2025-05-22 — — WO disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 — — WO disclosed
US-8586619-B2 Agents of calcium ion channel modulators VM THERAPEUTICS LLC (US) 2013-11-19 — — US disclosed
EP-1310533-B2 Ink composition containing a particular type of dye, and corresponding ink jet printing process AGFA GRAPHICS NV (BE) 2011-07-27 — — EP disclosed
EP-1310533-B2 Ink composition containing a particular type of dye, and corresponding ink jet printing process AGFA GRAPHICS NV (BE) 2011-07-27 — — EP disclosed
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 — — US disclosed
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
US-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 — — US disclosed
US-4226784-A 2- and 5-Aminoalkylamino anthraquinone dyes useful as basic dyes in coloring hair L'OREAL (FR) 1980-10-07 — — US disclosed
US-4078886-A Sublimation transfer and diisocyanate fixation of amino- or hydroxy-containing anthraquinone dyestuffs and transfer sheets thereof CIBA-GEIGY AG (CH) 1978-03-14 — — US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 — — US disclosed
US-3993619-A AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 — — US disclosed
US-3958933-A Process for the manufacture of fast dyeings on synthetic hydrophobic textile material CIBA-GEIGY CORPORATION (US) 1976-06-01 — — US disclosed
US-3940246-A Sublimation transfer and isocyanate fixation of amino- or hydroxy-containing dyestuffs and transfer sheets therefor CIBA-GEIGY AG (CH) 1976-02-24 — — 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 TSHR 2104/4885AOC3 2201/4885TAAR1 1862/4885
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B TSHR 2569/4885AOC3 3788/4885TAAR1 1887/4885

“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.