SCHEMBL18600524

SCHEMBL18600524

CC(=O)C1CNCCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 4/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
MEN1 O00255 1/20 0.38
GRM5 P41594 1/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR7 P34969 1/20 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
SCHEMBL10120229 0.87 ITGB2 (0.48) KMT2AHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL8587625 0.82 HTT (0.44) KMT2AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL7262930 0.81 HTR2C (0.44) SMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL15210112 0.80 KMT2A (0.44) KMT2AHTTLMNAALDH1A1MEN1
SCHEMBL4782128 0.79 HTR2C (0.41) KMT2AHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL6749672 0.77 NPC1 (0.49) KMT2AHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL2404056 0.76 HTR2C (0.50) HTR2CHTR2BHTR2A
Acetic Acid SCHEMBL4628540 0.75 KMT2A (0.55) KMT2AHTTLMNAALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL7771699 0.75 KMT2A (0.55) KMT2AHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL17599087 0.74 GRIK1 (0.41) ALDH1A1SMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926286-B2 Vortioxetine intermediate and synthesis process thereof SHANGHAI SYNCORES TECHNOLOGIES INC. LTD. (CN) 2018-03-27 US disclosed
US-20170088530-A1 NEW VORTIOXETINE INTERMEDIATE AND SYNTHESIS PROCESS THEREOF SHANGHAI SYNCORES TECHNOLOGIES INC. LTD. (CN) 2017-03-30 US disclosed
EP-3141543-A1 NEW VORTIOXETINE INTERMEDIATE AND SYNTHESIS PROCESS THEREOF Shanghai Syncores Technologies, Inc. (CN) 2017-03-15 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-20170088530-A1 NEW VORTIOXETINE INTERMEDIATE AND SYNTHESIS PROCESS THEREOF CYP3A4, CYP4B1, COMT KMT2A 352/4885HTT 1102/4885LMNA 3947/4885

“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.