SCHEMBL15577015

SCHEMBL15577015

CC1Cc2cccc(Cl)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HTR1A P08908 4/20 0.41
HTR7 P34969 4/20 0.41
PNMT P11086 1/20 0.41
HTR2C P28335 2/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL16233586 0.84 ADRA2A (0.49) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL16233584 0.82 ADRA2A (0.50) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL8151050 0.78 ADRA2A (0.41) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL10558927 0.77 DRD2 (0.46) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL30406211 0.77 DRD2 (0.46) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL32686717 0.76 ADRA2A (0.41) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL10247785 0.76 ADRA2A (0.41) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL10192260 0.76 ADRA2A (0.41) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL30864984 0.76 ACHE (0.46) HTR1AHTR2CBRD4CREBBPDRD2
SCHEMBL13360866 0.74 BRD4 (0.39) HTR1AHTR2CBRD4CREBBPDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011422-A1 OXASPIRO DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
US-20220017541-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC 2022-01-20 US disclosed
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-7550544-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-23 US disclosed
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS, INC. 2007-06-14 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 (4 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-20220017541-A1 INHIBITORS OF ARGINASE ARG1, ARG2, ARGLU1 ADRA2A 3155/4885CYP2D6 2935/4885ADRA2B 2342/4885
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 ADRA2A 3366/4885CYP2D6 3247/4885ADRA2B 3717/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT ADRA2A 2096/4885CYP2D6 49/4885ADRA2B 967/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT ADRA2A 2096/4885CYP2D6 49/4885ADRA2B 967/4885

“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.