SCHEMBL89679

SCHEMBL89679

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C)C(=O)[C@H]3CNC[C@@H](C(=O)NC(C)(C)c4ccccc4)C3)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.47
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.34
SSTR4 P31391 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
SCHEMBL89616 0.93 REN (0.53) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL90491 0.92 REN (0.46) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL89214 0.91 REN (0.47) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL90010 0.88 REN (0.37) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL8237694 0.85 REN (0.46) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL8235471 0.84 REN (0.56) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL90208 0.84 REN (0.56) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL90241 0.83 REN (0.49) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL89253 0.82 REN (0.54) RENTDP1CYP1A2CYP2C9CYP2C19
SCHEMBL8238346 0.82 REN (0.54) RENTDP1CYP1A2CYP2C9CYP2C19

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 1/4885TDP1 2580/4885CYP1A2 239/4885

“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.