SCHEMBL89081

SCHEMBL89081

COCCCN1C(=O)CCc2ccc(C)cc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
BRD4 O60885 1/20 0.44
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
DRD3 P35462 4/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 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
SCHEMBL12241297 0.88 TSHR (0.51) TSHRDRD2DRD3CHRM2CHRM4
SCHEMBL8265234 0.85 ATAD2 (0.50) GRIN1GRIN2BBRD4DRD2DRD4
SCHEMBL6721467 0.85 GRIN1 (0.42) GRIN1GRIN2BBRD4DRD2DRD4
SCHEMBL4097569 0.83 GRIN1 (0.49) GRIN1GRIN2BBRD4DRD2DRD4
SCHEMBL3071775 0.83 CHRM1 (0.42) GRIN1GRIN2BCHRM1
SCHEMBL3081117 0.83 SLC6A4 (0.42) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL10130299 0.80 GRIN1 (0.46) TSHRGRIN1GRIN2BBRD4DRD2
SCHEMBL12559592 0.80 GRIN1 (0.47) GRIN1GRIN2BBRD4DRD2DRD4
SCHEMBL89352 0.79 CHRM1 (0.44) TSHRGRIN1GRIN2BDRD2DRD4
SCHEMBL16090811 0.79 TSHR (0.47) TSHRBRD4DRD2DRD3CHRM2

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
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (4 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885GRIN1 3182/4885GRIN2B 3660/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC TSHR 2757/4885GRIN1 2687/4885GRIN2B 2730/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TSHR 3249/4885GRIN1 2511/4885GRIN2B 2775/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885GRIN1 1907/4885GRIN2B 768/4885

“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.