SCHEMBL8946720

SCHEMBL8946720

CN1c2ccccc2C2Cc3ccccc3C21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRK1 P41145 1/20 0.37
GPR3 P46089 1/20 0.37
SRD5A1 P18405 3/20 0.36

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
SCHEMBL8946743 1.00 ADRA2A (0.41) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL8946747 1.00 ADRA2A (0.41) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL8946433 0.84 SLC6A2 (0.40) SLC6A2HTR2AHTR2CSLC6A4ADRA1A
SCHEMBL8946437 0.84 SLC6A2 (0.40) SLC6A2HTR2AHTR2CSLC6A4ADRA1A
SCHEMBL8946442 0.84 SLC6A2 (0.40) SLC6A2HTR2AHTR2CSLC6A4ADRA1A
SCHEMBL24300090 0.83 OPRM1 (0.41) SLC6A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL8946497 0.81 KDM4E (0.43) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL8946972 0.81 HTR2A (0.45) SLC6A2HTR2ASLC6A4OPRM1
SCHEMBL8946506 0.81 KDM4E (0.43) ADRA2AADRA2BADRA2CSLC6A2HTR2A
SCHEMBL8946988 0.81 HTR2A (0.45) SLC6A2HTR2ASLC6A4OPRM1

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-20150025207-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-01-22 US disclosed
US-8546595-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-01 US disclosed
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-08-09 US disclosed
US-8173828-B2 Halogen substituted heteroatom-containing metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-05-08 US disclosed
US-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2011-11-24 US disclosed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 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 (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-20110288249-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 ADRA2A 3772/4885ADRA2B 4449/4885ADRA2C 4249/4885
US-20120202956-A1 Halogen Substituted Heteroatom-Containing Metallocene Compounds for Olefin Polymerization OPRM1, POLM, AP1M1 ADRA2A 3772/4885ADRA2B 4449/4885ADRA2C 4249/4885

“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.