SCHEMBL6160595

SCHEMBL6160595

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.51
ADRA2B P18089 9/20 0.51
ADRA2C P18825 9/20 0.51
PTGIR P43119 4/20 0.43
AOC3 Q16853 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL6158508 0.90 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6161439 0.89 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL5657476 0.86 ADRA2A (0.51) ADRA2AADRA2BADRA2CPTGIRJAK2
SCHEMBL6159692 0.86 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159519 0.84 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6158135 0.83 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159235 0.83 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6157746 0.83 ADRA2A (0.53) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6161172 0.82 ADRA2A (0.50) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL5658337 0.81 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRJAK2

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.