SCHEMBL8264309

SCHEMBL8264309

Cc1cccc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(C(=O)O)c2)C2CC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.45
REN P00797 3/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP30 Q70CQ3 4/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL13576859 1.00 TACR1 (0.45) TACR1RENCYP3A4MEN1KMT2A
SCHEMBL8264188 0.91 TACR1 (0.46) TACR1RENCYP3A4MEN1KMT2A
SCHEMBL10183402 0.91 TACR1 (0.44) TACR1RENCYP3A4MEN1KMT2A
SCHEMBL10183689 0.90 TACR1 (0.43) TACR1RENCYP3A4MEN1KMT2A
SCHEMBL10183732 0.88 REN (0.49) TACR1RENCYP3A4USP30JAK2
SCHEMBL8265387 0.88 TACR1 (0.42) TACR1RENCYP3A4USP30JAK2
SCHEMBL8265069 0.87 TACR1 (0.41) TACR1RENCYP3A4USP30JAK2
SCHEMBL8263788 0.87 TACR1 (0.45) TACR1RENCYP3A4USP30JAK2
SCHEMBL10233863 0.87 MAPT (0.40) TACR1RENCYP3A4MEN1KMT2A
SCHEMBL8263725 0.86 GPR119 (0.43) TACR1RENCYP3A4USP30JAK2

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
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 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-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (1 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-20110263560-A1 Organic Compounds REN, ACE, OTC TACR1 433/4885REN 1/4885CYP3A4 212/4885

“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.