SCHEMBL345335

SCHEMBL345335

COC(=O)C1CCc2ccc(C#N)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
DRD2 P14416 4/20 0.41
ACHE P22303 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
NAMPT P43490 1/20 0.40
DRD3 P35462 2/20 0.40
PNMT P11086 1/20 0.40
ADRB3 P13945 1/20 0.39
MCHR1 Q99705 2/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 2/20 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
SCHEMBL22070903 0.86 KDM4E (0.40) DRD2DRD3PNMTKMT2A
SCHEMBL345972 0.83 FFAR1 (0.48) MTNR1AMTNR1BACHECA1CA2
SCHEMBL346733 0.82 DRD2 (0.41) DRD2NAMPTDRD3PNMTADRB3
SCHEMBL13591318 0.81 KDM4E (0.40) DRD2DRD3MCHR1KMT2AFAAH
SCHEMBL346094 0.80 CA1 (0.53) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL25554148 0.80 MTNR1A (0.44) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL7919875 0.79 MTNR1A (0.43) MTNR1AMTNR1BACHECA1CA2
SCHEMBL8074296 0.79 MTNR1A (0.63) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL8606735 0.79 MTNR1A (0.63) MTNR1AMTNR1BDRD2ACHECA1
SCHEMBL545767 0.79 MTNR1A (0.63) MTNR1AMTNR1BDRD2ACHECA1

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 1240/4885DRD2 2431/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MTNR1A 1442/4885MTNR1B 1160/4885DRD2 1767/4885

“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.