SCHEMBL90692

SCHEMBL90692

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)N[C@@H](CCOC)c4ccccc4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.44
CCR5 P51681 6/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL90065 1.00 REN (0.44) RENCCR5KCNH2KMT2APOLB
SCHEMBL90681 0.96 REN (0.45) RENCCR5KCNH2KMT2APOLB
SCHEMBL89370 0.96 REN (0.45) RENCCR5KCNH2KMT2APOLB
SCHEMBL90361 0.96 REN (0.47) RENCCR5KCNH2KMT2APOLB
SCHEMBL90318 0.96 REN (0.47) RENCCR5KCNH2KMT2APOLB
SCHEMBL90655 0.96 REN (0.45) RENCCR5KCNH2KMT2APOLB
SCHEMBL89227 0.96 REN (0.45) RENCCR5KCNH2KMT2APOLB
SCHEMBL89902 0.94 REN (0.50) RENCCR5KCNH2KMT2APOLB
SCHEMBL90253 0.94 REN (0.50) RENCCR5KCNH2KMT2APOLB
SCHEMBL89658 0.94 REN (0.46) RENKMT2APOLBMEN1ALDH1A1

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 1/4885CCR5 1960/4885KCNH2 415/4885

“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.