SCHEMBL346349

SCHEMBL346349

COc1cccc2c1CC(C(=O)NO)CC2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.64
MTNR1B P49286 8/20 0.64
EPHX2 P34913 1/20 0.64
CYP1A2 P05177 2/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
CHRM2 P08172 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL5835471 0.86 MTNR1A (0.64) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL8066344 0.86 MTNR1A (0.64) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL18231450 0.84 MTNR1A (0.61) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL8079530 0.84 CYP1A2 (0.62) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL8080856 0.84 CYP1A2 (0.62) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL345918 0.84 CYP1A2 (0.62) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL10597231 0.82 EPHX2 (0.59) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL81120 0.78 MTNR1A (1.00) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL20478787 0.78 EPHX2 (0.55) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL5835352 0.78 GHSR (0.71) MTNR1AMTNR1BEPHX2CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MTNR1A 1579/4885MTNR1B 1240/4885EPHX2 1738/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885EPHX2 570/4885

“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.