SCHEMBL3072633

SCHEMBL3072633

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)O)CCC3c3ccc(OCCCOc4cccc(Cl)c4)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.43
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.38
UTS2R Q9UKP6 5/20 0.38
CHRM1 P11229 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMO O15229 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 4/20 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
SCHEMBL3071036 0.94 REN (0.46) RENCYP3A4CHRM1TSHR
SCHEMBL3083569 0.94 REN (0.45) RENCYP3A4ALOX15CHRM1TSHR
SCHEMBL3416949 0.93 REN (0.43) RENCYP3A4CHRM1TSHR
SCHEMBL3073158 0.92 REN (0.43) RENCYP3A4CHRM1KDM4ETSHR
SCHEMBL3415361 0.92 UTS2R (0.44) RENCYP3A4ALOX15UTS2RCHRM1
SCHEMBL3086921 0.91 REN (0.42) RENCYP3A4CHRM1KDM4ETSHR
SCHEMBL3080390 0.91 REN (0.41) RENCYP3A4CHRM1KDM4ETSHR
SCHEMBL3074214 0.90 REN (0.45) RENCYP3A4TSHR
SCHEMBL3060432 0.90 REN (0.44) RENCYP3A4ALOX15UTS2RTSHR
SCHEMBL3083380 0.90 REN (0.43) RENCYP3A4TSHRKDM1AMAOB

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 REN 1/4885CYP3A4 29/4885ALOX15 1581/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885ALOX15 1581/4885

“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.