SCHEMBL90079

SCHEMBL90079

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NC4C(C)CCCC4C)C3)C3CC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.54
ALDH1A1 P00352 6/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KCNH2 Q12809 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
SCHEMBL90633 0.93 REN (0.55) RENALDH1A1HTTPOLBGAA
SCHEMBL8235431 0.91 REN (0.57) RENALDH1A1HTTPOLBGAA
SCHEMBL90632 0.91 REN (0.57) RENALDH1A1HTTPOLBGAA
SCHEMBL89840 0.91 REN (0.55) RENALDH1A1HTTPOLBGAA
SCHEMBL89695 0.90 REN (0.53) RENALDH1A1HTTPOLBGAA
SCHEMBL89686 0.90 REN (0.53) RENALDH1A1HTTPOLBGAA
SCHEMBL89221 0.90 REN (0.53) RENALDH1A1HTTPOLBGAA
SCHEMBL89766 0.89 REN (0.62) RENALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL90156 0.89 REN (0.53) RENALDH1A1HTTPOLBGAA
SCHEMBL90254 0.89 REN (0.53) RENALDH1A1HTTPOLBGAA

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885ALDH1A1 38/4885HTT 943/4885

“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.