SCHEMBL4658069

SCHEMBL4658069

C=C(n1ccc2ccccc21)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
TSHR P16473 2/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.39
TFPI2 P48307 1/20 0.38
NPY4R P50391 1/20 0.38
GAA P10253 1/20 0.38
CDK4 P11802 3/20 0.37
CCND1 P24385 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 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
SCHEMBL1151123 0.72 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL10477477 0.72 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1KMT2A
Lithium Ion SCHEMBL6628951 0.72 NOTUM (0.63) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL23902687 0.71 NOTUM (0.58) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL5354348 0.71 NOTUM (0.68) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL29453277 0.71 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL931955 0.71 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL30522768 0.71 CDK4 (0.43) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL4080987 0.71 CDK4 (0.43) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL10646439 0.70 TSHR (0.62) NOTUMTSHRRAB9AL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912707-B2 Mitragynine alkaloids as opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-02-27 US disclosed
US-20210179618-A1 MITRAGYNINE ALKALOIDS AS OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-17 US disclosed
US-10961244-B2 Mitragynine alkaloids as opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-03-30 US disclosed
US-20190084983-A1 MITRAGYNINE ALKALOIDS AS OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-21 US disclosed
WO-2017165738-A1 MITRAGYNINE ALKALOIDS AS OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-28 WO disclosed
EP-1404317-B1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT 6? AND/OR 5-HT 7? SEROTONIN RECEPTORS SIGMA TAU IND FARMACEUTI (IT) 2008-12-10 EP disclosed
US-7098233-B2 5-halo-tryptamine derivatives used as ligands on the 5-HT6 and/or 5-HT7 serotonin receptors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-08-29 US disclosed
US-20040235899-A1 5-halo-tryptamine derivatives used as ligands of the 5-ht6 and/or 5-ht7 serotonin receptors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-25 US disclosed
EP-1404317-A1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT 6? AND/OR 5-HT 7? SEROTONIN RECEPTORS Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-07 EP disclosed
WO-2003000252-A1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT6 AND/OR 5-HT7 SEROTONIN RECEPTORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-01-03 WO disclosed
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 US disclosed
US-5229505-A CNS and cardiovascular effects LABORATOIRES UPSA (FR) 1993-07-20 US disclosed
US-4252803-A HYPOTENSIVE AGENTS, ANALGESICS GLAXO GROUP LIMITED (GB) 1981-02-24 US disclosed
US-4087444-A Amides as ovulation inhibitors ELI LILLY AND COMPANY (US) 1978-05-02 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 (5 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-20040235899-A1 5-halo-tryptamine derivatives used as ligands of the 5-ht6 and/or 5-ht7 serotonin receptors HTR7, HTR6, HTR1A NOTUM 937/4885TSHR 132/4885RAB9A 2223/4885
US-20210179618-A1 MITRAGYNINE ALKALOIDS AS OPIOID RECEPTOR MODULATORS OPRK1, OPRM1, OPRD1 NOTUM 2998/4885TSHR 637/4885RAB9A 168/4885
US-11912707-B2 Mitragynine alkaloids as opioid receptor modulators OPRK1, OPRM1, OPRD1 NOTUM 2998/4885TSHR 637/4885RAB9A 168/4885
US-20190084983-A1 MITRAGYNINE ALKALOIDS AS OPIOID RECEPTOR MODULATORS OPRK1, OPRM1, OPRD1 NOTUM 2998/4885TSHR 637/4885RAB9A 168/4885
US-10961244-B2 Mitragynine alkaloids as opioid receptor modulators OPRK1, OPRM1, OPRD1 NOTUM 2998/4885TSHR 637/4885RAB9A 168/4885

“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.