SCHEMBL6159692

SCHEMBL6159692

CN1CCN(c2ccc(C(=O)CCc3ccc(NC4=NCCN4)cc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.59
ADRA2B P18089 10/20 0.59
ADRA2C P18825 10/20 0.59
PTGIR P43119 3/20 0.48
AOC3 Q16853 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GPR65 Q8IYL9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL6159519 0.90 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159235 0.89 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6158508 0.89 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6161439 0.88 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6158135 0.88 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6157746 0.87 ADRA2A (0.53) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6160595 0.86 ADRA2A (0.51) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6161172 0.85 ADRA2A (0.50) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL5658814 0.84 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRNPC1
SCHEMBL6159363 0.83 MAPT (0.50) ADRA2AADRA2BADRA2CL3MBTL1NPC1

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.