SCHEMBL769063

SCHEMBL769063

c1ccc2c(c1)CCCC2c1c[nH]cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.55
ADRA2A P08913 3/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1B P35368 1/20 0.55
CYP2D6 P10635 2/20 0.51
HTR1A P08908 1/20 0.51
OPRM1 P35372 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HDAC6 Q9UBN7 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
GID4 Q8IVV7 1/20 0.43
IDO1 P14902 2/20 0.41
LMNA P02545 1/20 0.41
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HAO1 Q9UJM8 1/20 0.39

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
SCHEMBL6250927 0.92 ADRA1A (0.54) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL8865200 0.81 ESR1 (0.44) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL8865718 0.81 SRD5A1 (0.39) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL8865117 0.81 SRD5A1 (0.39) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL8865796 0.80 ADRA2A (0.49) ADRA1AADRA2AADRA1DADRA1BADRA2B
SCHEMBL8865410 0.79 ADRA2A (0.59) ADRA2ACYP2D6
SCHEMBL8866491 0.79 P2RX7 (0.38) ADRA1AADRA2AADRA1DADRA1BHTR1A
SCHEMBL7103607 0.79 ADRA2A (0.59) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL7608212 0.79 ADRA2A (0.40) ADRA1AADRA2AADRA1DADRA1BOPRM1
SCHEMBL8865654 0.79 SLC6A2 (0.35) ADRA1AADRA2AADRA1DADRA1BHTR1A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US claimed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US claimed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP claimed
US-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES GALLEY GUIDO (DE) 2012-03-22 US disclosed
EP-1981499-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles HOFFMANN-LA ROCHE INC. 2007-08-23 US disclosed
WO-2007085558-A1 USE OF 2-IMIDAZOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-0888309-B1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY ORION CORP (FI) 2003-03-19 EP disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6479530-B2 SUBSTITUTED 4(5)-(1-INDANYL,-INDANYLMETHYL, INDANYLMETHYLEN), 4(5)-(1-(1,2,3,4-TETRAHYDRONAPHTHYL, -NAPHTHYLMETHYL AND NAPHTHYLMETHYLEN)IMIDAZOLES; HYPOTENSIVE, ISCHEMIC AND ANXIOLYTIC AGENTS; NERVOUS AND MUSCULAR SYSTEM DISORDERS ORION CORPORATION (FI) 2002-11-12 US disclosed
EP-0888309-A1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY ORION CORPORATION (FI) 1999-01-07 EP disclosed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
WO-1997012874-A1 IMIDAZOLE DERIVATIVES HAVING AFFINITY FOR ALPHA2 RECEPTORS ACTIVITY Orion-Yhtymä Oy (FI) 1997-04-10 WO disclosed
CN-1133837-A Substituted 1H-imidazoles UCB SA (BE) 1996-10-23 CN disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 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 (2 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-20120071506-A1 METHODS FOR TREATING CNS DISORDERS WITH BICYCLO-SUBSTITUTED 2-IMIDAZOLINE AND 2-IMIDAZOLES CRY1, PER2, GPR119 ADRA1A 188/4885ADRA2A 102/4885ADRA1D 66/4885
US-20070197620-A1 Methods for treating CNS disorders with bicyclo-substituted 2-imidazoline and 2-imidazoles CRY1, PER2, GPR119 ADRA1A 203/4885ADRA2A 106/4885ADRA1D 35/4885

“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.