SCHEMBL4895023

SCHEMBL4895023

O=C(NCCF)NCc1cccc2c1OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
PARP1 P09874 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CCR8 P51685 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGES O14684 1/20 0.39
NAMPT P43490 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CHRM4 P08173 1/20 0.37
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 1/20 0.36
TGM2 P21980 1/20 0.36
EED O75530 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
SCHEMBL14088789 0.87 MTNR1A (0.48) MTNR1APARP1HTR2AHTR2CCCR8
SCHEMBL4893363 0.79 MTNR1A (0.52) MTNR1AHTR2AHTR2CNAMPTKDM4C
SCHEMBL12860220 0.79 HTR2A (0.37) MTNR1APARP1HTR2AHTR2CCCR8
SCHEMBL1151085 0.79 HTR2A (0.37) MTNR1APARP1HTR2AHTR2CCCR8
SCHEMBL12860181 0.79 HTR2A (0.37) MTNR1APARP1HTR2AHTR2CCCR8
SCHEMBL3127041 0.73 HTR2A (0.50) MTNR1APARP1HTR2AHTR2CCCR8
SCHEMBL8284762 0.72 MTNR1A (0.69) MTNR1APARP1HTR2AHTR2CTGM2
SCHEMBL3306457 0.71 PARP1 (0.43) MTNR1APARP1HTR2AHTR2CCCR8
SCHEMBL1151084 0.71 HTR2A (0.35) PARP1HTR2AHTR2CCCR8KCNH2
SCHEMBL4901844 0.70 PPIA (0.55) NPC1RAB9ACYP3A4MAPT

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 MTNR1A 382/4885PARP1 4078/4885HTR2A 100/4885

“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.