SCHEMBL9965952

SCHEMBL9965952

CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)NNC(=O)C3CC3)[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
SSTR4 P31391 1/20 0.45
NR1H2 P55055 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
STS P08842 4/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL20275276 0.83 SSTR4 (0.47) SSTR4NR1H2PTPN2PTPN1PTPN6
SCHEMBL29663561 0.83 NR1H2 (0.46) KMT2ASSTR4NR1H2PTPN2PTPN1
SCHEMBL29215893 0.83 NR1H2 (0.46) KMT2ASSTR4NR1H2PTPN2PTPN1
SCHEMBL28934755 0.83 NR1H2 (0.46) KMT2ASSTR4NR1H2PTPN2PTPN1
SCHEMBL29215883 0.81 SSTR4 (0.52) SSTR4NR1H2PTPN2PTPN1PTPN6
SCHEMBL30241500 0.81 SSTR4 (0.52) SSTR4NR1H2PTPN2PTPN1PTPN6
SCHEMBL16182190 0.81 SSTR4 (0.46) SSTR4NR1H2PTPN2PTPN1PTPN6
SCHEMBL16182226 0.81 NR1H2 (0.41) KMT2ASSTR4NR1H2PTPN2PTPN1
SCHEMBL12835644 0.81 NR1H2 (0.41) KMT2ASSTR4NR1H2PTPN2PTPN1
SCHEMBL9965920 0.81 NR1H2 (0.41) KMT2ASSTR4NR1H2PTPN2PTPN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KMT2A 4265/4885SSTR4 462/4885NR1H2 122/4885

“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.