SCHEMBL6161172

SCHEMBL6161172

CCCOC(=O)N1CCN(c2ccc(C(=O)CCc3ccc(NC4=NCCN4)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.50
ADRA2B P18089 7/20 0.50
ADRA2C P18825 7/20 0.50
PTGIR P43119 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 5/20 0.40
ITGAV P06756 5/20 0.40
ITGA2B P08514 1/20 0.40
AOC3 Q16853 1/20 0.40
ITGB5 P18084 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 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
SCHEMBL6157746 0.94 ADRA2A (0.53) ADRA2AADRA2BADRA2CPTGIRITGB3
SCHEMBL6159519 0.87 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIRL3MBTL1
SCHEMBL6158135 0.86 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRITGB3
SCHEMBL6159692 0.85 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRL3MBTL1
SCHEMBL6160595 0.82 ADRA2A (0.51) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159160 0.82 ADRA2A (0.47) ADRA2AADRA2BADRA2CPTGIRITGB3
SCHEMBL6159235 0.82 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6158508 0.82 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6056621 0.81 ADRA2A (0.45) ADRA2AADRA2BADRA2CPTGIRITGB3
Hydrochloric Acid SCHEMBL6161439 0.81 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339694-B1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
EP-1339694-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS SYNTEX (U.S.A.) LLC 2002-07-11 US disclosed
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 US disclosed
WO-2002040453-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 WO 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-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS PTGER1, FFAR1, BDKRB1 ADRA2A 50/4885ADRA2B 46/4885ADRA2C 53/4885

“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.