SCHEMBL16440187

SCHEMBL16440187

COc1cc(C)ccc1N1CCN(C2COC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR1A P08908 1/20 0.41
TBK1 Q9UHD2 3/20 0.40
JAK2 O60674 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A3 P47895 1/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL23601551 0.86 TBK1 (0.42) ALDH1A1DRD2DRD3KDM4EADRA1D
SCHEMBL16440188 0.86 SMPD3 (0.40) ALDH1A1DRD2DRD3KDM4EADRA1D
SCHEMBL15540550 0.85 NR4A1 (0.46) ALDH1A1DRD2DRD3KDM4EADRA1D
SCHEMBL20934843 0.85 DRD2 (0.48) ALDH1A1DRD2DRD3KDM4EADRA1D
SCHEMBL16440170 0.84 ALDH1A1 (0.56) ALDH1A1DRD2KDM4EADRA1DADRA1A
SCHEMBL17642719 0.84 MAP3K12 (0.37) ALDH1A1DRD2ADRA1DADRA1AADRA1B
SCHEMBL17660577 0.84 DRD2 (0.43) ALDH1A1DRD2DRD3KDM4EADRA1D
SCHEMBL16437243 0.83 SMN1; SMN2 (0.41) ALDH1A1DRD2DRD3KDM4EADRA1D
SCHEMBL17665055 0.82 ALDH1A1 (0.52) ALDH1A1DRD2LMNASMN1; SMN2HTT
SCHEMBL24123838 0.82 FGFR3 (0.49) ALDH1A1DRD2DRD3KDM4EADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885DRD2 4868/4885DRD3 4865/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4200/4885DRD2 3499/4885DRD3 2918/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885DRD2 4868/4885DRD3 4865/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4181/4885DRD2 3702/4885DRD3 3127/4885

“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.