SCHEMBL628247

SCHEMBL628247

CC(C)(C)c1ccc(C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR2C P28335 2/20 0.45
TP53 P04637 1/20 0.45
ESR2 Q92731 3/20 0.45
LMNA P02545 2/20 0.44
TYR P14679 1/20 0.44
LIPE Q05469 1/20 0.40
CNR2 P34972 2/20 0.40
POLB P06746 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NPY4R P50391 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KIF11 P52732 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5144848 0.91 CNR2 (0.49) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL5146562 0.91 SLC6A2 (0.46) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL9310477 0.89 SPHK1 (0.47) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL8596799 0.89 SLC6A2 (0.40) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL9310460 0.89 SPHK1 (0.47) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL8596798 0.89 SLC6A2 (0.40) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL8695201 0.89 SPHK1 (0.47) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL20868748 0.89 SLC6A2 (0.40) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL20783736 0.89 SLC6A2 (0.40) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL4329015 0.89 SLC6A2 (0.49) TSHRSLC6A2SLC6A4SLC6A3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344279-B Microbiocidal picolinamide derivatives 先正达参股股份有限公司 2023-07-07 CN disclosed
EP-3645626-A1 POLYPROPYLENE COMPOSITION WITH EXCELLENT SURFACE APPEARANCE Borealis AG (AT) 2020-05-06 EP disclosed
WO-2019002078-A1 POLYPROPYLENE COMPOSITION WITH EXCELLENT SURFACE APPEARANCE BOREALIS AG (AT) 2019-01-03 WO disclosed
WO-2017021292-A1 POLYPROPYLENE COMPOSITION SUITABLE FOR FOAMED SHEETS AND ARTICLES REACH PLASTIC INDUSTRIAL CO., LTD. (TW) 2017-02-09 WO disclosed
WO-2016071384-A2 LONG-CHAIN BRANCHED POLYPROPYLENE FOR FOAM APPLICATION BOREALIS AG (AT) 2016-05-12 WO disclosed
WO-2016071388-A2 LONG-CHAIN BRANCHED POLYPROPYLENE FOR FILM APPLICATION BOREALIS AG (AT) 2016-05-12 WO disclosed
WO-2015181106-A1 A PROCESS FOR TREATMENT OF POLYMERS USING A SPOUTED BED MIXER BOREALIS AG (AT) 2015-12-03 WO disclosed
EP-2603548-A1 EASY TEAR POLYPROPYLENE FILM WITHOUT NOTCH Borealis AG (AT) 2013-06-19 EP disclosed
WO-2012020106-A1 EASY TEAR POLYPROPYLENE FILM WITHOUT NOTCH BOREALIS AG (AT) 2012-02-16 WO disclosed
US-7803827-B2 1-N-amino-2-imidazolidinones and derivatives thereof which are effective as Kv1.5 potassium channel inhibitors providing atrial-selective antiarrhythmic agents; 1-(aminosulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone WYETH LLC (US) 2010-09-28 US disclosed
US-7504517-B2 Kv1.5 potassium channel inhibitors WYETH (US) 2009-03-17 US disclosed
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-03-12 US disclosed
US-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US disclosed
US-4952720-A Ortho-substituted benzyl carboxylates and fungicides which contain these compounds BASF AKTIENGSELLSCHAFT (DE) 1990-08-28 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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 TSHR 2546/4885SLC6A2 2149/4885SLC6A4 3407/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 TSHR 1447/4885SLC6A2 2171/4885SLC6A4 2622/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 TSHR 2546/4885SLC6A2 2149/4885SLC6A4 3407/4885

“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.