SCHEMBL459605

SCHEMBL459605

COC(=O)C1CCc2ccc(Oc3cccc(N)c3)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.51
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41

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 SCHEMBL345735 0.99 FAAH (0.50) FAAHMTNR1AMTNR1BADRB1ADRB3
SCHEMBL346892 0.87 FAAH (0.52) FAAHMTNR1AMTNR1BCA1CA2
SCHEMBL345462 0.84 MTNR1A (0.43) FAAHMTNR1AMTNR1BCA1CA2
SCHEMBL460022 0.83 FAAH (0.46) FAAHMTNR1AMTNR1B
SCHEMBL17067891 0.83 FAAH (0.69) FAAH
Hydrochloric Acid SCHEMBL345639 0.82 MTNR1A (0.42) FAAHMTNR1AMTNR1BCA1CA2
Hydrochloric Acid SCHEMBL345449 0.82 FAAH (0.45) FAAHMTNR1AMTNR1B
SCHEMBL346380 0.82 MTNR1A (0.56) FAAHMTNR1AMTNR1B
SCHEMBL10198059 0.81 FAAH (0.47) FAAHMTNR1AMTNR1B
SCHEMBL8606735 0.81 MTNR1A (0.63) FAAHMTNR1AMTNR1BCA1CA2

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 FAAH 1791/4885MTNR1A 1579/4885MTNR1B 1240/4885

“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.