SCHEMBL345664

SCHEMBL345664

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GHSR Q92847 1/20 0.41
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 1/20 0.38
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
SCHEMBL346900 0.83 GHSR (0.46) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL346094 0.81 CA1 (0.53) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL25554148 0.81 MTNR1A (0.44) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL8074296 0.80 MTNR1A (0.63) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL345462 0.80 MTNR1A (0.43) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL8606735 0.80 MTNR1A (0.63) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL29958397 0.80 MAPT (0.43) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL7919875 0.80 MTNR1A (0.43) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL545767 0.80 MTNR1A (0.63) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL27033455 0.80 MAPT (0.43) ACHECA1CA2MTNR1AMTNR1B

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 ACHE 3602/4885CA1 400/4885CA2 413/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ACHE 1149/4885CA1 844/4885CA2 826/4885

“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.