SCHEMBL9966306

SCHEMBL9966306

CC(C)(C)OC(=O)N1CCC2Nc3cc(Br)ccc3C2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.46
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
FPR2 P25090 4/20 0.40
FPR3 P25089 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PDE4B Q07343 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
RORC P51449 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
SCHEMBL6220238 0.91 USP30 (0.46) USP30KDM4EMAPTTHRBGPR119
SCHEMBL5133257 0.84 GPR119 (0.47) USP30KDM4EMAPTTHRBGPR119
SCHEMBL18345764 0.80 CNR1 (0.44) USP30KDM4EMAPTTHRBJAK2
SCHEMBL3310631 0.80 USP30 (0.44) USP30KDM4EMAPTTHRBGPR119
SCHEMBL626069 0.78 USP30 (0.45) USP30MAPTGPR119JAK2JAK1
SCHEMBL626068 0.78 USP30 (0.45) USP30MAPTGPR119JAK2JAK1
SCHEMBL626070 0.78 USP30 (0.45) USP30MAPTGPR119JAK2JAK1
SCHEMBL627260 0.78 USP30 (0.45) USP30MAPTGPR119JAK2JAK1
SCHEMBL627261 0.78 USP30 (0.45) USP30MAPTGPR119JAK2JAK1
SCHEMBL1843088 0.77 IDO1 (0.40) USP30KDM4EMAPTTHRBGPR119

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-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (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-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC1R USP30 1854/4885KDM4E 1261/4885MAPT 3467/4885

“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.