SCHEMBL89551

SCHEMBL89551

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NCCN4CCOCC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
QPCT Q16769 2/20 0.35
MAPK1 P28482 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL90560 0.97 REN (0.44) RENTHRBHPGDMAPTALDH1A1
SCHEMBL89904 0.92 REN (0.44) RENHPGDALDH1A1KMT2AUTS2R
SCHEMBL90061 0.91 REN (0.46) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL1911396 0.91 REN (0.46) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89493 0.90 REN (0.43) RENHPGDALDH1A1KMT2AUTS2R
SCHEMBL89697 0.90 REN (0.49) RENHPGDMAPTALDH1A1KMT2A
SCHEMBL89536 0.90 REN (0.44) RENHPGDALDH1A1KMT2AQPCT
SCHEMBL89792 0.90 REN (0.49) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89778 0.90 REN (0.42) RENHPGDALDH1A1KMT2AMEN1
SCHEMBL89925 0.90 REN (0.42) RENHPGDALDH1A1KMT2AMEN1

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 1/4885THRB 1041/4885HPGD 723/4885

“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.