SCHEMBL21542280

SCHEMBL21542280

COC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
MAPT P10636 5/20 0.61
TDP1 Q9NUW8 1/20 0.57
DEGS1 O15121 1/20 0.55
PDK2 Q15119 1/20 0.55
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CHRM2 P08172 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 1/20 0.48
SERPINE1 P05121 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2167020 0.85 MAPT (0.64) NOTUMMAPTDEGS1PDK2MEN1
SCHEMBL4330549 0.84 NOTUM (0.65) NOTUMMAPTTDP1PDK2SMN1; SMN2
SCHEMBL13896503 0.84 MAPT (0.66) NOTUMMAPTDEGS1PDK2CA12
SCHEMBL12082135 0.82 MAPT (0.68) MAPTPDK2MEN1KMT2ASMN1; SMN2
SCHEMBL2071701 0.82 NOTUM (0.83) NOTUMDEGS1PDK2CA12CA2
SCHEMBL12082732 0.81 NPY2R (0.54) MAPTPDK2SMN1; SMN2KDM4ELMNA
SCHEMBL25262380 0.81 MAPT (0.66) NOTUMMAPTPDK2MEN1KMT2A
SCHEMBL14862078 0.81 MAPT (0.66) MAPTPDK2MEN1KMT2ASMN1; SMN2
SCHEMBL16610843 0.81 MAPT (0.66) MAPTPDK2MEN1KMT2ASMN1; SMN2
SCHEMBL16611364 0.81 MAPT (0.66) MAPTPDK2MEN1KMT2ASMN1; SMN2

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
EP-3790862-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS Colorado State University Research Foundation (US) 2021-03-17 EP disclosed
CN-112262128-A Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction 科罗拉多州立大学研究基金会 2021-01-22 CN disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
WO-2020036661-A2 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-02-20 WO disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 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 (1 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-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS TYR, CRY2, CRY1 NOTUM 1262/4885MAPT 3361/4885TDP1 4634/4885

“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.