SCHEMBL10197646

SCHEMBL10197646

CC(C)COc1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
ACACB O00763 5/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SMPD1 P17405 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
ACHE P22303 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL10197641 0.82 MTNR1A (0.60) MTNR1AMTNR1BACHECA1CA2
SCHEMBL346783 0.81 ACHE (0.47) MTNR1AMTNR1BRAF1BRAFACHE
SCHEMBL10197642 0.80 FAAH (0.58) FAAH
SCHEMBL346775 0.78 FAAH (0.51) FAAH
SCHEMBL460142 0.78 NPY5R (0.47) ABL1ACACBMTNR1AMTNR1BRAF1
SCHEMBL461379 0.77 FAAH (0.44) RAF1BRAFFAAH
SCHEMBL346286 0.77 CA1 (0.56) MTNR1AMTNR1BACHECA1CA2
SCHEMBL10197645 0.77 FAAH (0.54) FAAH
SCHEMBL459626 0.77 MTNR1A (0.50) MTNR1AMTNR1BACHECA1CA2
SCHEMBL10197653 0.76 ADRB3 (0.46) RAF1BRAFACHECA1CA2

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 4 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
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 ABL1 639/4885ACACB 102/4885MTNR1A 1579/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ABL1 1687/4885ACACB 181/4885MTNR1A 1442/4885

“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.