SCHEMBL17080989

SCHEMBL17080989

C1=CN=C2OCCCN2C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL17081021 0.64 INMT (0.41) HPGD
SCHEMBL26566637 0.63 INMT (0.44) HPGD
SCHEMBL26599287 0.61 CHRNB2 (0.35) HPGD
SCHEMBL9847245 0.61 ALDH1A1 (0.31) MPO
SCHEMBL8932644 0.59
SCHEMBL17081031 0.57
SCHEMBL7624477 0.56 ADRA2A (0.72)
SCHEMBL11742531 0.54 ADRA2A (0.69) HPGD
SCHEMBL12744175 0.54 USP2 (0.39) HPGD
SCHEMBL543406 0.54 ADRA2A (0.69) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MPO 463/4885HPGD 93/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 MPO 463/4885HPGD 93/4885

“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.