SCHEMBL2599478

SCHEMBL2599478

CC1NCCOC1c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.72
ADRA1A P35348 1/20 0.72
HTR2B P41595 1/20 0.72
SLC6A3 Q01959 1/20 0.72
CHRNA7 P36544 1/20 0.71
PRCP P42785 1/20 0.38
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TACR1 P25103 2/20 0.36

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
SCHEMBL2599484 0.84 SLC6A2 (0.74) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
Phenmetrazine SCHEMBL15154744 0.84 SLC6A2 (1.00) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
Phenmetrazine SCHEMBL8094204 0.84 SLC6A2 (1.00) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
Phenmetrazine SCHEMBL15159760 0.84 SLC6A2 (1.00) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
Phenmetrazine SCHEMBL265002 0.84 SLC6A2 (1.00) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
Phenmetrazine SCHEMBL33984 0.84 SLC6A2 (1.00) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
Phenmetrazine SCHEMBL15159761 0.84 SLC6A2 (1.00) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
SCHEMBL25273814 0.83 SLC6A2 (0.72) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
SCHEMBL2599496 0.83 CHRNA7 (1.00) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7
Phenmetrazine SCHEMBL22462307 0.82 SLC6A2 (0.96) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459382-B For suppressing the heterocyclic compound of PASK 拜奥埃内杰尼克斯公司 2016-06-29 CN claimed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US claimed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP claimed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 WO claimed
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP disclosed
US-9617229-B2 Phenylmorpholines and analogues thereof RESEARCH TRIANGLE INSTITUTE (US) 2017-04-11 US disclosed
CN-103459382-B For suppressing the heterocyclic compound of PASK 拜奥埃内杰尼克斯公司 2016-06-29 CN disclosed
CN-103459382-A Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC 2013-12-18 CN disclosed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US disclosed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 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 (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-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF PNMT, OPRL1, OPRM1 SLC6A2 5/4885ADRA1A 78/4885HTR2B 35/4885

“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.