SCHEMBL4743095

SCHEMBL4743095

CCCCCc1ccc(NC2=NCCN2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.66
ADRA2B P18089 14/20 0.66
ADRA2C P18825 14/20 0.66
PTGIR P43119 3/20 0.58
GPR65 Q8IYL9 1/20 0.54
NISCH Q9Y2I1 1/20 0.54
HTR1D P28221 1/20 0.54

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
SCHEMBL393263 0.91 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13062961 0.90 ADRA2A (0.72) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017196 0.86 ADRA2A (0.81) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4692792 0.84 ADRA2A (0.78) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017221 0.83 ADRA2A (0.76) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL5659141 0.81 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL7894000 0.81 PTGIR (0.70) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL7886183 0.80 PTGIR (0.73) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017291 0.80 ADRA2A (1.00) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4743710 0.79 PTGIR (0.71) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194666-A1 Combination Treatment Methods MEDICAL RESEARCH COUNCIL (GB) 2008-08-14 US claimed
WO-2006106311-A2 COMBINATION TREATMENT METHODS FOR TREATING SEX-HORMONE DEPENDENT DISEASE AND FERTILITY TREATMENT MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2006-10-12 WO claimed
US-20060171945-A1 Ip receptor antagonists for the treatment of pathological uterine conditions UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH, THE (GB) 2006-08-03 US claimed
EP-1596858-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS Medical Research Council (GB) 2005-11-23 EP claimed
WO-2004071508-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS MEDICAL RESEARCH COUNCIL (GB) 2004-08-26 WO claimed
US-9321745-B2 Inhibition of neovascularization by inhibition of prostanoid IP receptors ALLERGAN, INC. (US) 2016-04-26 US disclosed
US-9295665-B2 Inhibition of neovascularization by simultaneous inhibition of prostanoid IP and EP4 receptors ALLERGAN, INC. (US) 2016-03-29 US disclosed
WO-2014143591-A9 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS ALLERGAN, INC. (US) 2014-10-16 WO disclosed
WO-2014143592-A1 INHIBITION OF NEOVASCULARIZATION BY INHIBITION OF PROSTANOID IP RECEPTORS ALLERGAN, INC. (US) 2014-09-18 WO disclosed
WO-2014143591-A1 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS ALLERGAN, INC. (US) 2014-09-18 WO disclosed
US-20140275200-A1 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
US-20140275238-A1 INHIBITION OF NEOVASCULARIZATION BY INHIBITION OF PROSTANOID IP RECEPTORS ALLERGAN, INC. (US) 2014-09-18 US disclosed
WO-2004071508-A1 IP RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PATHOLOGICAL UTERINE CONDITIONS MEDICAL RESEARCH COUNCIL (GB) 2004-08-26 WO disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 WO disclosed
EP-0902018-A3 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-05-02 EP 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 (5 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-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ADRA2A 154/4885ADRA2B 69/4885ADRA2C 131/4885
US-20140275200-A1 INHIBITION OF NEOVASCULARIZATION BY SIMULTANEOUS INHIBITION OF PROSTANOID IP AND EP4 RECEPTORS PTGIR, PTGER4, PTGIS ADRA2A 324/4885ADRA2B 231/4885ADRA2C 779/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 ADRA2A 147/4885ADRA2B 72/4885ADRA2C 129/4885
US-20080194666-A1 Combination Treatment Methods GNRHR, SHBG, FSHR ADRA2A 632/4885ADRA2B 806/4885ADRA2C 1127/4885
US-20140275238-A1 INHIBITION OF NEOVASCULARIZATION BY INHIBITION OF PROSTANOID IP RECEPTORS PTGIR, PTGIS, PTGFR ADRA2A 179/4885ADRA2B 135/4885ADRA2C 448/4885

“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.