SCHEMBL4903940

SCHEMBL4903940

O=C(NCCF)NCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
EPHX2 P34913 1/20 0.52
SRC P12931 1/20 0.51
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
CNR1 P21554 1/20 0.49
EPHX1 P07099 1/20 0.49
ROCK2 O75116 2/20 0.48
OPRM1 P35372 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
OPRL1 P41146 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL4893863 0.84 EPHX1 (0.49) EPHX2SRCMAPK1EPHX1ROCK2
SCHEMBL4897474 0.83 MTOR (0.56) EPHX2RAB9ACNR1EPHX1LMNA
SCHEMBL4892249 0.83 FBP1 (0.53) EPHX2RAB9ACNR1EPHX1ROCK2
SCHEMBL4892302 0.83 FOLH1 (0.53) EPHX2EPHX1
SCHEMBL14088790 0.82 EPHX1 (0.71) EPHX2RAB9AEPHX1LMNAPOLB
SCHEMBL8178554 0.81 ANPEP (0.54) ANPEPEPHX2SRCRAB9AMAPK1
SCHEMBL9269432 0.81 ANPEP (0.58) ANPEPEPHX2SRCRAB9AMAPK1
SCHEMBL14088778 0.80 ALDH1A1 (0.64) ANPEPEPHX2ROCK2LMNAPOLB
SCHEMBL26051555 0.80 ANPEP (0.48) ANPEPEPHX2SRCRAB9AMAPK1
SCHEMBL29699631 0.78 SRC (0.61) ANPEPEPHX2SRCRAB9AMAPK1

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 ANPEP 1718/4885EPHX2 604/4885SRC 2745/4885

“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.