SCHEMBL2882525

SCHEMBL2882525

CC(C)(C)c1ccc([C]2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
HTR1D P28221 1/20 0.44
ADRA1A P35348 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
FGF23 Q9GZV9 1/20 0.42
SLC6A2 P23975 1/20 0.40
KDM4E B2RXH2 3/20 0.39
XDH P47989 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGAT1 O75907 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL5146558 0.90 KIF11 (0.46) KIF11TSHRLMNATYRHTR1D
SCHEMBL5144847 0.90 FGF23 (0.47) KIF11TSHRLMNATYRHTR1D
SCHEMBL4329010 0.88 SLC6A2 (0.47) KIF11TSHRLMNATYRHTR1D
SCHEMBL26915 0.80 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
SCHEMBL3423876 0.80 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
Lithium SCHEMBL29536927 0.77 KIF11 (0.67) KIF11TSHRLMNATYRHTR1D
SCHEMBL1931781 0.77 KIF11 (0.67) KIF11TSHRLMNATYRHTR1D
Lithium SCHEMBL30081449 0.77 KIF11 (0.67) KIF11TSHRLMNATYRHTR1D
SCHEMBL424728 0.76 TSHR (0.73) KIF11TSHRLMNATYRNPC1
SCHEMBL1847395 0.74 KIF11 (0.54) KIF11TSHRNISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016183741-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-24 WO claimed
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
CN-101573341-A Imidazolidinone Kv1.5 potassium channel inhibitors WYETH CORP (US) 2009-11-04 CN disclosed
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN 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 KIF11 855/4885TSHR 2546/4885LMNA 1198/4885
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 KIF11 862/4885TSHR 1447/4885LMNA 1556/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 KIF11 855/4885TSHR 2546/4885LMNA 1198/4885

“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.