SCHEMBL17664236

SCHEMBL17664236

O=C(N/C=C/c1ccc(C(F)(F)F)cc1)NCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.57
▸ TRPV1 Q8NER1 2/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ NAMPT P43490 1/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PLAAT3 P53816 1/20 0.44
▸ PLAAT5 Q96KN8 1/20 0.44
▸ PLAAT2 Q9NWW9 1/20 0.44
▸ PLAAT4 Q9UL19 1/20 0.44
▸ MLYCD O95822 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ NR3C2 P08235 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL17664350 0.93 CNR1 (0.57) CNR1TRPV1HDAC1HDAC8NAMPT
SCHEMBL17664237 0.92 CNR1 (0.58) CNR1TRPV1HDAC1HDAC8NAMPT
SCHEMBL17664486 0.85 CNR1 (0.52) CNR1TRPV1HDAC1HDAC8NAMPT
SCHEMBL19403889 0.84 CNR1 (0.61) CNR1TRPV1MEN1KMT2ANPC1
SCHEMBL19403914 0.83 CNR1 (0.71) CNR1TRPV1HDAC1HDAC8NAMPT
SCHEMBL17664484 0.83 CNR1 (0.54) CNR1TRPV1HDAC1HDAC8NAMPT
SCHEMBL17664233 0.79 MLYCD (0.53) TRPV1MEN1KMT2AMLYCDKDM4E
SCHEMBL14365889 0.78 CNR1 (0.65) CNR1TRPV1HDAC1HDAC8NAMPT
SCHEMBL4536310 0.76 CNR1 (0.62) CNR1TRPV1HDAC1HDAC8NAMPT
SCHEMBL17689393 0.75 CNR1 (0.61) CNR1TRPV1HDAC1HDAC8NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
WO-2016049774-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-04-07 — — WO 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-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG CNR1 496/4885TRPV1 3626/4885HDAC1 1081/4885

“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.

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