SCHEMBL4893856

SCHEMBL4893856

COc1c(C)cccc1CNC(=O)NCCF

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 1/20 0.40
ROCK2 O75116 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
ROCK1 Q13464 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 3/20 0.38
HIF1A Q16665 1/20 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
SCHEMBL4904332 0.85 KMT2A (0.46) MTNR1AMTNR1BRAB9APKMMAPK1
SCHEMBL4893187 0.85 NPC1 (0.51) MTNR1AMTNR1BRAB9APKMMAPK1
SCHEMBL4900916 0.83 ALDH1A1 (0.55) RAB9APKMNPC1KMT2AMEN1
SCHEMBL15313573 0.81 ALDH1A1 (0.43) RAB9APKMNPC1KMT2AMEN1
SCHEMBL4895030 0.81 NPC1 (0.47) RAB9APKMNPC1KMT2AMEN1
SCHEMBL17207233 0.77 HPGD (0.55) RAB9AMAPK1NPC1KMT2ALMNA
SCHEMBL4896207 0.75 RAB9A (0.55) RAB9ANPC1KMT2AMEN1
SCHEMBL29328533 0.73 ROCK2 (0.44) ROCK2NPC1KMT2AROCK1ALDH1A1
SCHEMBL4901844 0.72 PPIA (0.55) RAB9APKMMAPK1NPC1KMT2A
SCHEMBL4898824 0.71 NPC1 (0.58) RAB9ANPC1KMT2AMEN1LMNA

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 382/4885MTNR1B 297/4885RAB9A 1593/4885

“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.