SCHEMBL90318

SCHEMBL90318

CCOCC[C@H](NC(=O)[C@H]1C[C@@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C2CC2)CN(C(=O)OC(C)(C)C)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.47
CCR5 P51681 4/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL90361 1.00 REN (0.47) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL90065 0.96 REN (0.44) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL90692 0.96 REN (0.44) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL89902 0.96 REN (0.50) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL90253 0.96 REN (0.50) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL89227 0.94 REN (0.45) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL90655 0.94 REN (0.45) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL89370 0.94 REN (0.45) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL90681 0.94 REN (0.45) RENCCR5KCNH2ALDH1A1KMT2A
SCHEMBL89615 0.93 REN (0.43) RENCCR5KCNH2ALDH1A1KMT2A

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.