SCHEMBL3071263

SCHEMBL3071263

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)O)CCC3c3ccc(C(=O)Cl)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
REN P00797 3/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 4/20 0.36
THRB P10828 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KMO O15229 1/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL3075058 0.94 TSHR (0.41) TSHRRENTP53POLBKDM4E
SCHEMBL3070724 0.93 TSHR (0.42) TSHRRENTP53POLBKDM4E
SCHEMBL3416348 0.91 UTS2R (0.40) TSHRRENTP53POLBKDM4E
SCHEMBL3414795 0.89 UTS2R (0.40) TSHRRENTP53POLBMAPT
SCHEMBL3071036 0.89 REN (0.46) TSHRRENMAPTCYP3A4CHRM1
SCHEMBL3083380 0.87 REN (0.43) TSHRRENTP53POLBMAPT
SCHEMBL3080994 0.86 REN (0.41) TSHRRENTP53POLBMAPT
SCHEMBL3060432 0.86 REN (0.44) TSHRRENCYP3A4
SCHEMBL3065714 0.86 UTS2R (0.40) TSHRRENTP53POLBKDM4E
SCHEMBL3072633 0.86 REN (0.43) TSHRRENKDM4EKMOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885REN 1/4885TP53 3631/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885REN 1/4885TP53 3631/4885

“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.