SCHEMBL10360439

SCHEMBL10360439

CC(C)N1CCC2CCNCC2C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
HRH3 Q9Y5N1 2/20 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
SCHEMBL10360894 0.93 HRH3 (0.31) GNAI3GNAO1GNAI1HRH3
SCHEMBL10176085 0.86 CHRNB2 (0.36) HRH3
SCHEMBL21210559 0.86 CHRNB2 (0.36) HRH3
SCHEMBL21786928 0.86 CHRNB2 (0.32) HRH3
SCHEMBL12209130 0.86 CHRNB2 (0.32) HRH3
SCHEMBL3996073 0.82 GNAI3 (0.42) GNAI3GNAO1GNAI1HRH3
SCHEMBL25089472 0.80 HRH3 (0.34) HRH3
SCHEMBL25646849 0.78 CCR5 (0.41) HRH3
SCHEMBL24869991 0.78 GNAI3 (0.34) GNAI3GNAO1GNAI1HRH3
SCHEMBL20707906 0.78 HRH3 (0.33) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2023-05-11 US disclosed
WO-2023004163-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH ENHANCED IMID ACTIVITY NURIX THERAPEUTICS, INC. (US) 2023-01-26 WO disclosed
WO-2023287928-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH DIMINISHED IMID ACTIVITY NURIX THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
WO-2021226135-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. (US) 2021-11-11 WO disclosed
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-16 US disclosed
US-10189843-B2 Fused pyrazole derivative having autotaxin inhibitory activity THE UNIVERSITY OF TOKYO (JP) 2019-01-29 US disclosed
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2017-06-08 US disclosed
US-20160376278-A1 FUSED PYRAZOLE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-12-29 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-01-07 US disclosed
US-8993535-B2 Modulators of cell cycle checkpoints and their use in combination with checkpoint kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8916594-B2 5-membered ring heteroaromatic derivatives having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-12-23 US disclosed
US-20140051862-A1 5-MEMBERED RING HETEROAROMATIC DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-02-20 US disclosed
US-20120184505-A1 MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
WO-2011028638-A1 MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS SCHERING CORPORATION (US) 2011-03-10 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 (9 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-10189843-B2 Fused pyrazole derivative having autotaxin inhibitory activity ENPP2, PRTN3, TPX2 GNAI3 1680/4885GNAO1 2850/4885GNAI1 1810/4885
US-20160376278-A1 FUSED PYRAZOLE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, PRTN3, TPX2 GNAI3 1680/4885GNAO1 2850/4885GNAI1 1810/4885
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY ENPP2, ITPA, IMPA1 GNAI3 2400/4885GNAO1 3399/4885GNAI1 1504/4885
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, UACA, IAPP GNAI3 793/4885GNAO1 2961/4885GNAI1 654/4885
US-20120184505-A1 MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS CDC25C, CDC25A, CDC25B GNAI3 1970/4885GNAO1 2976/4885GNAI1 1402/4885
US-20140051862-A1 5-MEMBERED RING HETEROAROMATIC DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GNAI3 524/4885GNAO1 878/4885GNAI1 707/4885
US-20190144396-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 GNAI3 3779/4885GNAO1 3689/4885GNAI1 3539/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 GNAI3 4369/4885GNAO1 3582/4885GNAI1 4209/4885
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 GNAI3 2048/4885GNAO1 1176/4885GNAI1 1768/4885

“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.