Sugi Predict

Sugi Predict / Compounds / SCHEMBL17080910

SCHEMBL17080910

SCHEMBL17080910

O=C1Cc2ccc(CCO)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.53
▸ CMA1 P23946 2/20 0.53
▸ EIF2AK2 P19525 1/20 0.51
▸ CRBN Q96SW2 3/20 0.48
▸ PDK2 Q15119 1/20 0.46
▸ MAOB P27338 3/20 0.42
▸ SMYD3 Q9H7B4 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 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
SCHEMBL260866 0.87 AHR (0.53) AHRPDK2MAOBSMYD3GAA
SCHEMBL29746650 0.86 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL2811609 0.86 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL17081007 0.85 CA9 (0.54) CRBNMAOBHTR1ADRD2HTR2A
SCHEMBL4511892 0.83 AHR (0.53) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL19991984 0.81 AHR (0.50) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL24570314 0.79 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL290258 0.79 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL4509576 0.79 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL29746444 0.79 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 — — EP disclosed
US-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 — — US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 — — US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 — — US disclosed
EP-3115361-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-11 — — EP disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 — — 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-10174011-B2 Heterocyclic compounds, process for preparation of the same and use thereof CYP11B2, CYP11B1, ADCYAP1R1 AHR 337/4885CMA1 900/4885EIF2AK2 4475/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 AHR 337/4885CMA1 900/4885EIF2AK2 4475/4885

“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.