SCHEMBL162055

SCHEMBL162055

CC(C)OC(=O)n1ccnc1[O]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
JMJD6 Q6NYC1 1/20 0.35
P2RX4 Q99571 1/20 0.35
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA7 P43166 5/20 0.34
CA9 Q16790 5/20 0.34
CA14 Q9ULX7 5/20 0.34
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
FAAH O00519 1/20 0.32
TSHR P16473 1/20 0.31
ADORA2B P29275 4/20 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
SCHEMBL161242 0.83 KMT2A (0.41) GPR119ADRA1ASMN1; SMN2
SCHEMBL162479 0.79 LPO (0.43) BCHEJMJD6P2RX4OPRD1SMN1; SMN2
SCHEMBL5647605 0.78 BCHE (0.36) BCHEGPR119JMJD6P2RX4OPRD1
SCHEMBL159377 0.78 P2RX4 (0.40) GPR119JMJD6P2RX4SMN1; SMN2ALDH1A1
SCHEMBL165585 0.76 LPO (0.46) BCHEJMJD6CA12CA1CA2
SCHEMBL164500 0.72 JMJD6 (0.38) BCHEJMJD6OPRD1SMN1; SMN2ALDH1A1
SCHEMBL165206 0.71 BCHE (0.38) BCHEP2RX4SMN1; SMN2ALDH1A1
SCHEMBL162550 0.70 BCHE (0.43) BCHEOPRD1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL163470 0.70
SCHEMBL161189 0.69 BCHE (0.46) BCHEP2RX4CA12CA1CA2

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 BCHE 37/4885GPR119 2270/4885JMJD6 2475/4885

“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.