SCHEMBL6669807

SCHEMBL6669807

CCCCNC1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.51
GNAO1 P09471 3/20 0.51
GNAI1 P63096 3/20 0.51
KCNH2 Q12809 1/20 0.50
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
RAD52 P43351 1/20 0.35
PRCP P42785 1/20 0.34
EPHX1 P07099 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL23921717 0.93 GNAI3 (0.62) GNAI3GNAO1GNAI1KCNH2S1PR4
SCHEMBL27419894 0.89 KCNH2 (0.53) GNAI3GNAO1GNAI1KCNH2MAPK1
SCHEMBL5768036 0.89 KCNH2 (0.53) GNAI3GNAO1GNAI1KCNH2MAPK1
SCHEMBL4635166 0.89 GNAI3 (0.65) GNAI3GNAO1GNAI1KCNH2S1PR4
Hydrochloric Acid SCHEMBL28253889 0.87 KCNH2 (0.52) GNAI3GNAO1GNAI1KCNH2MAPK1
SCHEMBL4973175 0.83 KCNH2 (0.52) GNAI3GNAO1GNAI1KCNH2MEN1
SCHEMBL6097037 0.83 GNAI3 (0.73) GNAI3GNAO1GNAI1KCNH2S1PR4
SCHEMBL19606425 0.81 GNAI3 (0.77) GNAI3GNAO1GNAI1KCNH2S1PR4
SCHEMBL13766278 0.80
SCHEMBL3403980 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021019514-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITOR AND USES THEREOF INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2021-02-04 WO disclosed
EP-3209651-B9 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2020-05-20 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-20040242888-A1 Process for producing 1-alkoxycarbonyl nitrogenous saturated heterocyclic derivative TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN (JP) 2004-12-02 US disclosed
EP-1460061-A1 PROCESS FOR PRODUCING 1-ALKOXYCARBONYL NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2004-09-22 EP 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-20040242888-A1 Process for producing 1-alkoxycarbonyl nitrogenous saturated heterocyclic derivative DAO, DDO, ODC1 GNAI3 4066/4885GNAO1 79/4885GNAI1 3608/4885

“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.