SCHEMBL20640249

SCHEMBL20640249

COC1(OC)CC(C#N)(c2cccc(F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
KDM1A O60341 2/20 0.38
ALDH1A1 P00352 1/20 0.34
CCR2 P41597 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 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
SCHEMBL20653722 0.83 KMT2A (0.43) KMT2ASLC6A4SLC6A3SLC6A2CCR2
SCHEMBL22832485 0.82 KMT2A (0.42) KMT2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL16701145 0.81 OPRM1 (0.35) SLC6A4SLC6A3SLC6A2ALDH1A1LRRK2
SCHEMBL13163320 0.80 OPRM1 (0.41) KMT2AALDH1A1OPRM1OPRL1
SCHEMBL10526309 0.79 KDM1A (0.46) KMT2ASLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL626449 0.76 KDM1A (0.43) KMT2ASLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL1018956 0.76 SLC6A4 (0.46) KMT2ASLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL16591230 0.75 KDM1A (0.47) KMT2ASLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL1020648 0.74 SLC6A4 (0.49) KMT2ASLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL16701036 0.73 HSD11B1 (0.37) KMT2AALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 EP disclosed
EP-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 EP disclosed
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 US disclosed
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 US disclosed
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives Grünenthal GmbH (DE) 2020-08-11 US disclosed
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives Grünenthal GmbH (DE) 2020-08-11 US disclosed
EP-3652157-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2020-05-20 EP disclosed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 WO disclosed
US-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 US disclosed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 WO disclosed
US-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 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 (3 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-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 KMT2A 2050/4885SLC6A4 263/4885SLC6A3 38/4885
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives OPRK1, OPRD1, OPRL1 KMT2A 2050/4885SLC6A4 263/4885SLC6A3 38/4885
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 KMT2A 2050/4885SLC6A4 263/4885SLC6A3 38/4885

“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.