SCHEMBL17660577

SCHEMBL17660577

COc1cc(C(C)C)ccc1N1CCN(C2COC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 5/20 0.41
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TBK1 Q9UHD2 4/20 0.39
JAK2 O60674 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A3 P47895 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL23315793 0.90 DRD2 (0.40) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL24721525 0.87 TBK1 (0.41) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL17660619 0.86 MAP3K12 (0.39) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL17306128 0.85 ALDH1A1 (0.54) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL26484667 0.85 SMN1; SMN2 (0.46) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL20457835 0.84 CHRM1 (0.43) ALDH1A1RECQLADRA1DADRA1AADRA1B
SCHEMBL17660585 0.84 KDM4E (0.37) DRD2ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL16440187 0.84 ALDH1A1 (0.43) DRD2DRD3ALDH1A1HTR1AADRA1D
SCHEMBL20457903 0.84 ALK (0.37) ALDH1A1TBK1JAK2TLR9TLR8
SCHEMBL20934843 0.83 DRD2 (0.48) DRD2DRD3ALDH1A1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-01-17 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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 (6 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK DRD2 3067/4885DRD3 3362/4885ALDH1A1 4095/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS DRD2 4868/4885DRD3 4865/4885ALDH1A1 4260/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS DRD2 4868/4885DRD3 4865/4885ALDH1A1 4260/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS DRD2 4868/4885DRD3 4865/4885ALDH1A1 4260/4885
US-20190016717-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS DRD2 4868/4885DRD3 4865/4885ALDH1A1 4260/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS DRD2 4868/4885DRD3 4865/4885ALDH1A1 4260/4885

“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.