SCHEMBL4893363

SCHEMBL4893363

O=C(NCCF)NCc1cccc2c1OCO2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
KDM4C Q9H3R0 2/20 0.47
MT-CO2 P00403 1/20 0.46
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
FAAH O00519 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 2/20 0.38

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
SCHEMBL4895023 0.79 MTNR1A (0.44) MTNR1AKDM4CROCK2ROCK1CYP3A4
SCHEMBL29561855 0.72 HTR2A (0.52) MTNR1AKDM4CMT-CO2FAAHHTR2A
SCHEMBL24455081 0.72 HTR2A (0.52) MTNR1AKDM4CMT-CO2FAAHHTR2A
SCHEMBL4901844 0.72 PPIA (0.55) CYP3A4HPGDNPC1RAB9A
SCHEMBL4898248 0.71 RAB9A (0.42) MTNR1ACYP2D6CYP2C9NPC1RAB9A
SCHEMBL4898824 0.71 NPC1 (0.58) CYP3A4CYP2D6CYP2C9NPC1RAB9A
SCHEMBL4892285 0.71 NPC1 (0.49) CYP2D6CYP2C9NPC1RAB9A
SCHEMBL4900916 0.71 ALDH1A1 (0.55) HPGDNPC1RAB9A
SCHEMBL4902891 0.71 KMT2A (0.50) NPC1RAB9A
SCHEMBL4893825 0.70 RAB9A (0.57) NPC1RAB9A

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 382/4885KDM4C 1702/4885MT-CO2 4337/4885

“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.