SCHEMBL90138

SCHEMBL90138

CCN(C(=O)[C@H]1C[C@H](C(=O)NCCC(C)C)CN(C(=O)OC(C)(C)C)C1)c1ccc2c(c1)N(CCCOC)C(=O)CO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
UTS2R Q9UKP6 4/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
REN P00797 3/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL88888 0.90 TSHR (0.40) TSHRUTS2RTP53POLBKDM4E
SCHEMBL90405 0.90 TSHR (0.40) TSHRUTS2RTP53POLBKDM4E
SCHEMBL90129 0.87 REN (0.48) TSHRTP53POLBKDM4EREN
SCHEMBL89199 0.81 SMN1; SMN2 (0.39) TSHRUTS2RTP53POLBREN
SCHEMBL88941 0.81 REN (0.42) TSHRUTS2RTP53POLBKDM4E
SCHEMBL89697 0.80 REN (0.49) TSHRPOLBRENMAPTMEN1
SCHEMBL90025 0.79 TSHR (0.41) TSHRUTS2RTP53POLBKDM4E
SCHEMBL89709 0.79 REN (0.41) TSHRUTS2RTP53POLBKDM4E
SCHEMBL13132198 0.79 TSHR (0.40) TSHRUTS2RTP53POLBKDM4E
SCHEMBL89780 0.79 REN (0.55) POLBRENMEN1KMT2A

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 5 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
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP 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 TSHR 1095/4885UTS2R 466/4885TP53 3771/4885

“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.