SCHEMBL6158477

SCHEMBL6158477

O=C(CCc1ccc(NC2=NCCN2)cc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.50
ADRA2B P18089 12/20 0.50
ADRA2C P18825 12/20 0.50
AOC3 Q16853 1/20 0.48
PTGIR P43119 4/20 0.46
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GPR65 Q8IYL9 1/20 0.41

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
SCHEMBL6160627 0.85 ADRA2A (0.52) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL6159085 0.82 ADRA2A (0.58) ADRA2AADRA2BADRA2CAOC3PTGIR
Hydrochloric Acid SCHEMBL6159956 0.81 ADRA2A (0.56) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL4759817 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CAOC3PTGIR
Hydrochloric Acid SCHEMBL6161690 0.80 ADRA2A (0.53) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL6163238 0.78 ADRA2A (0.56) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL6159648 0.77 ADRA2A (0.51) ADRA2AADRA2BADRA2CAOC3PTGIR
Hydrochloric Acid SCHEMBL6159099 0.77 ADRA2A (0.55) ADRA2AADRA2BADRA2CAOC3PTGIR
Hydrochloric Acid SCHEMBL6158687 0.77 ADRA2A (0.50) ADRA2AADRA2BADRA2CAOC3PTGIR
SCHEMBL6160175 0.77 ADRA2A (0.50) ADRA2AADRA2BADRA2CAOC3PTGIR

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 3 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
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

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.