SCHEMBL9027488

SCHEMBL9027488

N#C[C@H]1O[C@H]1c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A3 Q01959 7/20 0.41
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PLAU P00749 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2D6 P10635 5/20 0.36
KCNH2 Q12809 4/20 0.36
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL19328608 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KDM4ECA1
SCHEMBL9026171 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KDM4ECA1
SCHEMBL19328610 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KDM4ECA1
SCHEMBL19328566 1.00 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3KDM4ECA1
SCHEMBL19328583 0.76 EPHX1 (0.36) MEN1KMT2A
SCHEMBL19328585 0.76 EPHX1 (0.36) MEN1KMT2A
SCHEMBL19328561 0.76 EPHX1 (0.36) MEN1KMT2A
SCHEMBL19328560 0.76 EPHX1 (0.36) MEN1KMT2A
SCHEMBL19328562 0.76 EPHX1 (0.36) MEN1KMT2A
SCHEMBL3756817 0.74 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KDM4ECA1

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
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 US disclosed
EP-0558950-B1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA SPA (IT) 1996-12-04 EP disclosed
US-5436235-A 3-aryl-glycidic ester derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1995-07-25 US disclosed
EP-0558950-A1 3-aryl-glycidic ester derivatives and process for their preparation PHARMACIA S.p.A. (IT) 1993-09-08 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-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CYP8B1, HSD3B1, HSD17B1 SLC6A4 3252/4885SLC6A2 3947/4885SLC6A3 4140/4885

“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.