SCHEMBL345462

SCHEMBL345462

COC(=O)C1CCc2ccc(N)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NR1H2 P55055 1/20 0.42
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
ACHE P22303 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 1/20 0.39
FAAH O00519 4/20 0.38
MMP8 P22894 4/20 0.38
MMP3 P08254 2/20 0.38
HSD11B1 P28845 1/20 0.37

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
Hydrochloric Acid SCHEMBL345639 0.99 MTNR1A (0.42) MTNR1AMTNR1BNR1H2BRD4ATAD2
SCHEMBL15431081 0.94 FAAH (0.43) NR1H2BRD4ATAD2ACHECA1
Hydrochloric Acid SCHEMBL7432243 0.93 FAAH (0.42) NR1H2BRD4ATAD2ACHECA1
SCHEMBL18989955 0.88 KMT2A (0.47) NR1H2BRD4ATAD2CA1CA2
SCHEMBL20891011 0.86 NR1H2 (0.52) MTNR1AMTNR1BNR1H2BRD4ATAD2
SCHEMBL460022 0.86 FAAH (0.46) MTNR1AMTNR1BFAAH
Hydrochloric Acid SCHEMBL345449 0.85 FAAH (0.45) MTNR1AMTNR1BFAAH
SCHEMBL459605 0.84 FAAH (0.51) MTNR1AMTNR1BACHECA1CA2
SCHEMBL346094 0.84 CA1 (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL25554148 0.84 MTNR1A (0.44) MTNR1AMTNR1BACHECA1CA2

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
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO 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 1240/4885NR1H2 517/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885NR1H2 1113/4885

“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.