SCHEMBL90021

SCHEMBL90021

COCCCN1C(=O)COc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
REN P00797 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
UTS2R Q9UKP6 4/20 0.37
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CHRM1 P11229 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
SCHEMBL90025 0.94 TSHR (0.41) TSHRRENMEN1KMT2AALDH1A1
SCHEMBL89199 0.90 SMN1; SMN2 (0.39) TSHRRENKMT2AUTS2RPOLB
SCHEMBL90405 0.89 TSHR (0.40) TSHRRENMEN1KMT2AKDM4E
SCHEMBL88888 0.89 TSHR (0.40) TSHRRENMEN1KMT2AKDM4E
SCHEMBL90026 0.88 THRB (0.39) TSHRRENUTS2RPOLBTP53
SCHEMBL90622 0.88 TSHR (0.38) TSHRRENMEN1KMT2AALDH1A1
SCHEMBL89057 0.87 REN (0.43) RENMEN1KMT2AALDH1A1POLB
SCHEMBL88941 0.87 REN (0.42) TSHRRENKDM4EUTS2RPOLB
SCHEMBL89709 0.85 REN (0.41) TSHRRENKDM4EUTS2RPOLB
SCHEMBL10184951 0.83 TACR1 (0.42) TSHRRENMEN1KMT2AUTS2R

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 TSHR 1095/4885REN 1/4885MEN1 2336/4885

“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.