SCHEMBL5838596

SCHEMBL5838596

CCNC(=O)C(c1ccc(NC2=NCCN2)cc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.50
ADRA2B P18089 14/20 0.50
ADRA2C P18825 14/20 0.50
PTGIR P43119 3/20 0.45
GPR65 Q8IYL9 1/20 0.43

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
SCHEMBL5080882 0.77 SMYD3 (0.50)
SCHEMBL6994952 0.74 SLC6A2 (0.43)
Hydrochloric Acid SCHEMBL5839689 0.74 PTGIR (0.49) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5838590 0.74 ADRA2A (0.51) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL5838792 0.73 ADRA2A (0.50) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL7092586 0.71 ADRA2A (0.45) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5839535 0.70 PTGIR (0.44) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5658116 0.69 ADRA2A (0.51) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5839518 0.69 PTGIR (0.46) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5655762 0.69 ADRA2A (0.56) ADRA2AADRA2BADRA2CPTGIRGPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP 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 (3 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 ADRA2A 223/4885ADRA2B 256/4885ADRA2C 248/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R ADRA2A 32/4885ADRA2B 41/4885ADRA2C 5/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 ADRA2A 26/4885ADRA2B 38/4885ADRA2C 5/4885

“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.