SCHEMBL20187097

SCHEMBL20187097

O=C1NCN(c2ccc(F)cc2)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.84
OPRL1 P41146 11/20 0.84
OPRK1 P41145 11/20 0.84
OPRD1 P41143 10/20 0.84
DRD4 P21917 4/20 0.65
DRD2 P14416 5/20 0.65
DRD3 P35462 5/20 0.65
ADRB1 P08588 4/20 0.65
ADRA1A P35348 4/20 0.65
HRH1 P35367 4/20 0.65
SLC6A3 Q01959 4/20 0.65
ADRA1B P35368 3/20 0.65
SIGMAR1 Q99720 3/20 0.65
SLC6A2 P23975 2/20 0.65
ADRA1D P25100 2/20 0.65
CACNA1C Q13936 2/20 0.65
CHRM2 P08172 2/20 0.65
CACNA1F O60840 1/20 0.65
CACNA1D Q01668 1/20 0.65
CACNA1S Q13698 1/20 0.65

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
SCHEMBL10733564 0.95 OPRM1 (0.84) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL7847623 0.91 OPRL1 (1.00) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL3895657 0.89 OPRM1 (0.67) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL21634300 0.89 OPRL1 (0.86) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL8894175 0.88 OPRL1 (0.84) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL16876793 0.88 OPRL1 (0.84) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL16876775 0.88 OPRL1 (0.84) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL20187104 0.87 OPRL1 (0.78) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL20187118 0.86 OPRM1 (0.73) OPRM1OPRL1OPRK1OPRD1DRD4
SCHEMBL21634308 0.85 OPRL1 (0.78) OPRM1OPRL1OPRK1OPRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829579-B1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S P A (IT) 2023-08-02 EP claimed
EP-3829579-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY Maria Cecilia Hospital S.p.A. (IT) 2021-06-09 EP claimed
WO-2020021378-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S.P.A. (IT) 2020-01-30 WO claimed
EP-3829579-B1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S P A (IT) 2023-08-02 EP disclosed
EP-3829579-B1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S P A (IT) 2023-08-02 EP disclosed
EP-3829579-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY Maria Cecilia Hospital S.p.A. (IT) 2021-06-09 EP disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
WO-2020021378-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S.P.A. (IT) 2020-01-30 WO disclosed
WO-2020021378-A1 1,3,8-TRIAZASPIRO COMPOUNDS AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF REPERFUSION INJURY MARIA CECILIA HOSPITAL S.P.A. (IT) 2020-01-30 WO disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 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 (4 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRK1 3749/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRK1 3749/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRK1 3749/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRM1 4280/4885OPRL1 2399/4885OPRK1 3749/4885

“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.