SCHEMBL90622

SCHEMBL90622

COCCCN1C(=O)COc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC(C)(C)C4CCOCC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
UTS2R Q9UKP6 4/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
REN P00797 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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 0.89 TSHR (0.41) TSHRMAPTTHRBUTS2RPOLB
SCHEMBL90585 0.89 REN (0.41) POLBRENMEN1KMT2AALDH1A1
SCHEMBL90021 0.88 TSHR (0.40) TSHRMAPTTHRBUTS2RPOLB
SCHEMBL89698 0.88 TSHR (0.42) TSHRMAPTTHRBPOLBTP53
SCHEMBL90405 0.87 TSHR (0.40) TSHRMAPTTHRBUTS2RPOLB
SCHEMBL88888 0.87 TSHR (0.40) TSHRMAPTTHRBUTS2RPOLB
SCHEMBL90026 0.85 THRB (0.39) TSHRMAPTTHRBUTS2RPOLB
SCHEMBL89199 0.85 SMN1; SMN2 (0.39) TSHRUTS2RPOLBTP53REN
SCHEMBL88941 0.85 REN (0.42) TSHRMAPTTHRBUTS2RPOLB
SCHEMBL89709 0.83 REN (0.41) TSHRUTS2RPOLBTP53REN

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 1095/4885MAPT 1089/4885THRB 1041/4885

“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.