SCHEMBL10182098

SCHEMBL10182098

CC(C)(C)OC(=O)N1CC[C@H](c2cccc(O)c2)[C@@H](C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.49
KCNH2 Q12809 5/20 0.49
TACR1 P25103 2/20 0.43
STS P08842 1/20 0.40
SLC6A4 P31645 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
ABL2 P42684 1/20 0.37
TACR3 P29371 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
SCHEMBL10182020 0.91 REN (0.48) RENKCNH2TACR1STSSLC6A4
SCHEMBL8260754 0.91 REN (0.48) RENKCNH2TACR1STSSLC6A4
SCHEMBL10183402 0.88 TACR1 (0.44) RENKCNH2TACR1JAK2JAK1
SCHEMBL10181975 0.88 REN (0.46) RENKCNH2TACR1STS
SCHEMBL1070909 0.88 REN (0.66) RENKCNH2
SCHEMBL1070906 0.88 REN (0.66) RENKCNH2
SCHEMBL8264813 0.87 REN (0.43) RENKCNH2TACR1JAK2JAK1
SCHEMBL8265153 0.87 GPR119 (0.46) RENKCNH2TACR1STSSLC6A4
SCHEMBL8266141 0.86 TACR1 (0.47) RENKCNH2TACR1STSJAK2
SCHEMBL8265387 0.84 TACR1 (0.42) RENKCNH2TACR1JAK2JAK1

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
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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-20110263560-A1 Organic Compounds REN, ACE, OTC REN 1/4885KCNH2 337/4885TACR1 433/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO REN 1/4885KCNH2 417/4885TACR1 475/4885

“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.