SCHEMBL10197641

SCHEMBL10197641

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.60
MTNR1B P49286 2/20 0.60
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
ACHE P22303 4/20 0.56
DRD2 P14416 5/20 0.55
DRD3 P35462 5/20 0.55
DRD4 P21917 2/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
CYP19A1 P11511 1/20 0.45
MMP8 P22894 2/20 0.45
MMP3 P08254 1/20 0.45
NQO2 P16083 1/20 0.44

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
SCHEMBL346286 0.94 CA1 (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL459626 0.91 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL436970 0.89 MTNR1A (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10197736 0.86 HDAC1 (0.53) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL460204 0.86 MTNR1A (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8074296 0.86 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8606735 0.86 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL545767 0.86 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL345764 0.84 MCHR1 (0.57)
SCHEMBL345881 0.84 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE

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 5 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

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 1240/4885CA1 400/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885CA1 844/4885

“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.