SCHEMBL460022

SCHEMBL460022

COC(=O)C1CCc2ccc(-c3cccc(N)c3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 13/20 0.46
AAK1 Q2M2I8 1/20 0.40
TDP2 O95551 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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 SCHEMBL345449 0.99 FAAH (0.45) FAAHAAK1TDP2MTNR1AMTNR1B
SCHEMBL10260957 0.87 FAAH (0.57) FAAH
SCHEMBL345380 0.86 FAAH (0.47) FAAHAAK1TDP2MTNR1AMTNR1B
SCHEMBL345462 0.86 MTNR1A (0.43) FAAHMTNR1AMTNR1B
SCHEMBL346328 0.85 ADRB3 (0.46) FAAH
Hydrochloric Acid SCHEMBL345639 0.84 MTNR1A (0.42) FAAHMTNR1AMTNR1B
SCHEMBL459605 0.83 FAAH (0.51) FAAHMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL345735 0.82 FAAH (0.50) FAAHMTNR1AMTNR1B
SCHEMBL12473133 0.82 FAAH (0.63) FAAH
SCHEMBL15431081 0.80 FAAH (0.43) FAAH

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 1791/4885AAK1 4580/4885TDP2 2532/4885

“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.