SCHEMBL4018322

SCHEMBL4018322

COC(=O)C1Cc2cccc(F)c2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
F2 P00734 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
F10 P00742 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL14231689 1.00 KMT2A (0.44) KMT2ADRD2DRD3MTNR1AMTNR1B
SCHEMBL30049087 0.84 KDM4E (0.48) KMT2ADRD2DRD3
SCHEMBL23856566 0.84 KDM4E (0.48) KMT2ADRD2DRD3
SCHEMBL29233940 0.83 KMT2A (0.44) KMT2AF2CA1CA2F10
SCHEMBL14392825 0.83 KMT2A (0.46) KMT2AMTNR1AMTNR1BF2CA1
SCHEMBL31278113 0.83 KMT2A (0.46) KMT2AMTNR1AMTNR1BF2CA1
SCHEMBL9979464 0.83 CA1 (0.46) KMT2ADRD2DRD3CA1CA2
SCHEMBL1339793 0.83 KMT2A (0.46) KMT2AMTNR1AMTNR1BF2CA1
SCHEMBL4013407 0.81 KMT2A (0.44) KMT2AMTNR1AMTNR1BF2CA1
SCHEMBL2071684 0.81 KMT2A (0.44) KMT2AMTNR1AMTNR1BF2F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C KMT2A 1449/4885DRD2 801/4885DRD3 903/4885

“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.