SCHEMBL39998

SCHEMBL39998

CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H](O)CC[C@@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
NR1H2 P55055 1/20 0.49
GPR119 Q8TDV5 6/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
PREP P48147 1/20 0.45
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
PDE4B Q07343 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL43022 1.00 JAK2 (0.50) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL29913770 1.00 JAK2 (0.50) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL27427012 0.94 NR1H2 (0.52) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL30733147 0.91 NR1H2 (0.55) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL30598863 0.89 NR1H2 (0.60) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL20031433 0.89 NR1H2 (0.60) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL20031051 0.89 NR1H2 (0.60) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL20031049 0.89 NR1H2 (0.60) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL6749254 0.89 NR1H2 (0.60) JAK2JAK1NR1H2GPR119CHRM2
SCHEMBL15061029 0.88 GPR119 (0.56) JAK2JAK1NR1H2GPR119HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 WO 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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR JAK2 79/4885JAK1 706/4885NR1H2 315/4885

“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.