SCHEMBL9682302

SCHEMBL9682302

OCC1OCc2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1B P35368 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
SLC6A4 P31645 8/20 0.35
HTR1A P08908 3/20 0.35
HTR1D P28221 3/20 0.35
HTR1B P28222 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33

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
SCHEMBL17193852 1.00 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL17193850 0.79 TRPM5 (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL4704205 0.79 TRPM5 (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL17361494 0.79 PNMT (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL18427870 0.79 TRPM5 (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9683908 0.74 LMNA (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL17193848 0.74 LMNA (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL17193849 0.74 LMNA (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL7163573 0.74 SLC5A2 (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL18474155 0.73 HTR2C (0.38) CA1CA2PDE3AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001213-B C-aryl glycoside derivative, pharmaceutical composition, preparation method and application thereof 上海迪诺医药科技有限公司 2020-08-28 CN disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 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 (1 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 ADRA2A 1886/4885ADRA2B 501/4885ADRA2C 1000/4885

“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.