SCHEMBL2963542

SCHEMBL2963542

CC(C)[C@H](CCl)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
TACR1 P25103 6/20 0.45
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL2963549 1.00 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL2963547 1.00 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL21239569 0.89 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL12444919 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL12444920 0.84 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL3777584 0.82 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL1132896 0.82 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL1132897 0.82 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL19699720 0.82 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL3777580 0.82 CA1 (0.50) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338620-B2 Methods for the production of C-8 lactam lactone compounds NOVARTIS AG (CH) 2012-12-25 US disclosed
US-8338620-B2 Methods for the production of C-8 lactam lactone compounds NOVARTIS AG (CH) 2012-12-25 US disclosed
US-8338620-B2 Methods for the production of C-8 lactam lactone compounds NOVARTIS AG (CH) 2012-12-25 US disclosed
US-20100274027-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-28 US disclosed
US-7767831-B2 Process for preparing renin inhibitors NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20100130749-A1 METHODS NODEN PHARMA DAC (IE) 2010-05-27 US disclosed
US-20100130749-A1 METHODS NODEN PHARMA DAC (IE) 2010-05-27 US disclosed
US-20100130749-A1 METHODS NODEN PHARMA DAC (IE) 2010-05-27 US disclosed
CN-101679213-A New methods NOVARTIS AG 2010-03-24 CN disclosed
EP-2142497-A1 NEW METHODS Novartis Ag (CH) 2010-01-13 EP disclosed
EP-2080754-A2 Organic compounds Novartis Ag (CH) 2009-07-22 EP disclosed
WO-2008119804-A1 NEW METHODS NOVARTIS AG (CH) 2008-10-09 WO disclosed
WO-2008119804-A1 NEW METHODS NOVARTIS AG (CH) 2008-10-09 WO disclosed
US-20080207921-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
EP-1896411-A2 PROCESS FOR PREPARING RENIN INHIBITORS Novartis AG (CH) 2008-03-12 EP disclosed
WO-2006131304-A2 PROCESS FOR PREPARING RENIN INHIBITORS NOVARTIS AG (CH) 2006-12-14 WO 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-20100130749-A1 METHODS REN, AGTR1, AGTR2 TSHR 1981/4885CA1 2246/4885CA2 712/4885
US-20100274027-A1 ORGANIC COMPOUNDS REN, AGTR1, GRHPR TSHR 2608/4885CA1 2064/4885CA2 366/4885
US-20080207921-A1 Organic Compounds REN, AGTR1, AGT TSHR 3108/4885CA1 2652/4885CA2 320/4885

“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.