SCHEMBL1810237

SCHEMBL1810237

CN1CCN(c2ccccc2I)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.60
DRD2 P14416 4/20 0.56
DRD3 P35462 3/20 0.56
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
NCF1 P14598 2/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 4/20 0.46
HTR2A P28223 2/20 0.46
DRD4 P21917 1/20 0.46
HTR2C P28335 1/20 0.46
HTR3A P46098 4/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL29426367 1.00 ADRA2C (0.60) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL29586471 0.81 DRD3 (0.50) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL23294808 0.81 DRD3 (0.50) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL23294841 0.81 ADRA2C (0.58) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL30350850 0.80 KEAP1 (0.54) MAPTMAPK1EGFRKMT2AKDM4E
SCHEMBL19510747 0.80 KEAP1 (0.54) MAPTMAPK1EGFRKMT2AKDM4E
SCHEMBL23277135 0.79 ADRB1 (0.57) DRD2DRD3LMNAHTR1ADRD4
SCHEMBL172953 0.78 KEAP1 (0.57) MAPTMAPK1EGFRLMNAKMT2A
SCHEMBL173027 0.77 ADRB1 (0.62) ADRA2CDRD2DRD3MAPTMAPK1
SCHEMBL424507 0.77 DRD2 (0.75) ADRA2CDRD2DRD3MAPTMAPK1

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-105541759-A Novel method for preparing vortioxetine MAGUS PHARMACEUTICAL (XIAMEN) CO LTD 2016-05-04 CN claimed
US-20220347299-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF LightOx Limited (GB) 2022-11-03 US disclosed
CN-114127046-A Fluorescence system for biological imaging and use thereof 莱托克斯有限公司 2022-03-01 CN disclosed
EP-3921373-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF Lightox Limited (GB) 2021-12-15 EP disclosed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
WO-2021009506-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF LightOx Limited (GB) 2021-01-21 WO disclosed
CN-105541759-A Novel method for preparing vortioxetine MAGUS PHARMACEUTICAL (XIAMEN) CO LTD 2016-05-04 CN disclosed
EP-2751108-B1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY 2011-05-19 US disclosed
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY 2011-05-19 US disclosed
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY 2011-05-19 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 (2 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-20220347299-A1 FLUORESCENT SYSTEMS FOR BIOLOGICAL IMAGING AND USES THEREOF SON, DNER, CASR ADRA2C 3346/4885DRD2 497/4885DRD3 575/4885
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF TK1, XDH, KYAT1 ADRA2C 1251/4885DRD2 3009/4885DRD3 3252/4885

“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.