SCHEMBL4745958

SCHEMBL4745958

c1ccc2cc(N3CCOCC3)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.69
MAPT P10636 7/20 0.63
HTT P42858 4/20 0.63
LMNA P02545 3/20 0.63
KDM4E B2RXH2 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TSHR P16473 2/20 0.63
NSD2 O96028 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
CASP6 P55212 1/20 0.63
SIGMAR1 Q99720 3/20 0.62
HTR3A P46098 2/20 0.62
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
HTR5A P47898 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.58

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
SCHEMBL21154120 0.87 MAPT (0.59) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL12806786 0.84 HTR3A (0.72) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL3534699 0.82 HTR3A (0.69) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL29594813 0.82 HTR3A (0.69) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL4649483 0.81 MAPT (0.59) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL17631851 0.81 MAPT (0.59) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL13511022 0.81 MAPT (0.52) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL5798756 0.80 MAPT (0.58) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL4810527 0.80 HTR3A (0.67) AKR1C3MAPTHTTLMNAKDM4E
SCHEMBL30480097 0.80 HTR3A (0.67) AKR1C3MAPTHTTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147254-A Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 1997-04-09 CN claimed
US-12392042-B2 Alternating current (AC) transition-metal catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-08-19 US disclosed
US-20230407492-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-12-21 US disclosed
EP-4214355-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS Yeda Research and Development Co. Ltd (IL) 2023-07-26 EP disclosed
CN-116113728-A Alternating Current (AC) transition metal catalysis 耶达研究与发展有限公司 2023-05-12 CN disclosed
US-20220144760-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND FUJIFILM CORPORATION (JP) 2022-05-12 US disclosed
WO-2022059010-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-03-24 WO disclosed
US-9567307-B2 Amination of aryl alcohol derivatives THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-14 US disclosed
US-9567307-B2 Amination of aryl alcohol derivatives THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-14 US disclosed
US-20130289270-A1 Amination of Aryl Alcohol Derivatives THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-31 US disclosed
US-20130289270-A1 Amination of Aryl Alcohol Derivatives THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-31 US disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed
CN-1075812-C Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 2001-12-05 CN disclosed
US-5817877-A Metal-catalyzed amination of organic sulfonates to organic amines YALE UNIVERSITY (US) 1998-10-06 US disclosed
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
CN-1147254-A Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 1997-04-09 CN 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-20130289270-A1 Amination of Aryl Alcohol Derivatives SULT2A1, SULT1A1, ADH5 AKR1C3 348/4885MAPT 3931/4885HTT 2342/4885
US-20220144760-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND NOXO1, MT-CO2, MT-ATP8 AKR1C3 515/4885MAPT 2763/4885HTT 2499/4885

“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.