SCHEMBL4901901

SCHEMBL4901901

O=C(NCCF)NCc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.52
CNR1 P21554 2/20 0.50
TRPV1 Q8NER1 1/20 0.49
NTRK1 P04629 2/20 0.48
PPARG P37231 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ATM Q13315 1/20 0.44
P2RX7 Q99572 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL4897456 0.86 P2RX7 (0.55) P2RX7
SCHEMBL4589527 0.83 EPHX2 (0.53) EPHX2CNR1TRPV1NTRK1PPARG
SCHEMBL4901844 0.80 PPIA (0.55) CNR1NPC1RAB9A
SCHEMBL3232626 0.79 EPHX2 (0.62) EPHX2CNR1NTRK1PPARGHDAC3
SCHEMBL4900916 0.78 ALDH1A1 (0.55) NPC1RAB9A
SCHEMBL4902891 0.78 KMT2A (0.50) EPHX2NPC1RAB9AP2RX7
SCHEMBL4892285 0.78 NPC1 (0.49) EPHX2NPC1RAB9A
SCHEMBL3911493 0.78 EPHX2 (0.55) EPHX2CNR1PPARGHDAC3HDAC1
SCHEMBL15313574 0.78 P2RX7 (0.47) NPC1RAB9AP2RX7
SCHEMBL4586644 0.78 EPHX2 (0.57) EPHX2CNR1PPARGHDAC3HDAC1

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-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A EPHX2 604/4885CNR1 42/4885TRPV1 1358/4885

“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.