SCHEMBL2884802

SCHEMBL2884802

Cc1ccc(C2CC2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
ESR2 Q92731 2/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
ALDH1A1 P00352 2/20 0.39
QDPR P09417 2/20 0.38
DRD3 P35462 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6388479 0.89 ACMSD (0.44) HTR2CHTR2AHTR2BALDH1A1TP53
SCHEMBL21718570 0.86 HRH3 (0.40) HTR2CHTR2AHTR2BDRD2DRD4
SCHEMBL26388942 0.86 ESR2 (0.48) HTR2CHTR2AHTR2BESR2DRD2
SCHEMBL2302109 0.85 HTR2C (0.40) HTR2CHTR2AHTR2BDRD2DRD4
SCHEMBL2709718 0.85 HTR2C (0.59) HTR2CQDPR
SCHEMBL14183099 0.85 HTR1D (0.41) HTR2CHTR2AHTR2BDRD2DRD4
SCHEMBL13906358 0.84 HTR2C (0.37) HTR2CHTR2AHTR2BESR2DRD2
Hydrochloric Acid SCHEMBL4881862 0.83 HTR2C (0.61) HTR2CQDPR
SCHEMBL19103494 0.83 QDPR (0.61) HTR2CHTR2ADRD2DRD4QDPR
SCHEMBL9680433 0.83 NPC1 (0.56) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2609917-A1 Triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2013-07-03 EP 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-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 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 (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-20070299120-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 HTR2C 3690/4885HTR2A 3850/4885HTR2B 3656/4885
US-20090069342-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNK5, KCNH2 HTR2C 3690/4885HTR2A 3850/4885HTR2B 3656/4885

“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.