SCHEMBL3070724

SCHEMBL3070724

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KCNH2 Q12809 1/20 0.39
POLB P06746 3/20 0.38
TP53 P04637 2/20 0.38
REN P00797 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM1 P11229 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
SCHEMBL3075058 0.94 TSHR (0.41) TSHRPOLBTP53RENMAPT
SCHEMBL3071263 0.93 TSHR (0.40) TSHRPOLBTP53RENMAPT
SCHEMBL3070243 0.92 UTS2R (0.43) TSHRKCNH2RENMAPTMEN1
SCHEMBL3069871 0.92 UTS2R (0.41) TSHRKCNH2POLBTP53REN
SCHEMBL3414795 0.89 UTS2R (0.40) TSHRKCNH2POLBTP53REN
SCHEMBL3071036 0.89 REN (0.46) TSHRRENMAPTCHRM1
SCHEMBL3065714 0.87 UTS2R (0.40) TSHRPOLBTP53RENMAPT
SCHEMBL3083380 0.87 REN (0.43) TSHRPOLBTP53RENMAPT
SCHEMBL3075980 0.87 UTS2R (0.42) TSHRKCNH2RENMAPTKDM4E
SCHEMBL3060432 0.86 REN (0.44) TSHRRENALOX15

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 4 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
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 3211/4885KCNH2 317/4885POLB 1031/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885KCNH2 317/4885POLB 1031/4885

“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.