SCHEMBL3797901

SCHEMBL3797901

O=C(CCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ME2 P23368 6/20 1.00
ME1 P48163 6/20 1.00
ME3 Q16798 6/20 1.00
MAPT P10636 6/20 0.78
KMT2A Q03164 3/20 0.78
MEN1 O00255 2/20 0.78
GFER P55789 1/20 0.78
ALDH1A1 P00352 4/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
NPC1 O15118 2/20 0.66
KDM4E B2RXH2 2/20 0.66
GAA P10253 2/20 0.66
NPSR1 Q6W5P4 2/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 1/20 0.64
TDP1 Q9NUW8 1/20 0.63
FKBP1A P62942 1/20 0.62
LMNA P02545 2/20 0.61

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
SCHEMBL2824683 0.87 MAPT (1.00) ME2ME1ME3MAPTKMT2A
SCHEMBL3799766 0.87 GFER (1.00) ME2ME1ME3MAPTKMT2A
SCHEMBL11889843 0.87 ME2 (0.76) ME2ME1ME3MAPTKMT2A
SCHEMBL23244223 0.85 ME3 (1.00) ME2ME1ME3MAPTKMT2A
SCHEMBL7131839 0.84 NPC1 (0.86) ME2ME1ME3MAPTKMT2A
SCHEMBL29577609 0.84 ME2 (0.73) ME2ME1ME3MAPTKMT2A
SCHEMBL23244181 0.84 ME2 (0.73) ME2ME1ME3MAPTKMT2A
SCHEMBL3796852 0.84 ME2 (0.72) ME2ME1ME3MAPTKMT2A
SCHEMBL2824010 0.84 MEN1 (0.72) ME2ME1ME3MAPTKMT2A
SCHEMBL3455917 0.84 MAPT (1.00) ME2ME1ME3MAPTKMT2A

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
WO-2021030174-A1 TRUNCATED ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2021-02-18 WO disclosed
US-8901116-B2 Method for treating pain, anxiety or depression using carbamoyloxy alkanoyl piperazine compound SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-12-02 US disclosed
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-03-27 US disclosed
US-8541409-B2 Carbamoyloxy arylalkanoyl arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-09-24 US disclosed
US-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND SK HOLDINGS CO. LTD. (KR) 2010-06-24 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-20100160331-A1 NOVEL CARBAMOYLOXY ARYLALKAN ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND HTR5A, OPRD1, OPRL1 ME2 3685/4885ME1 2926/4885ME3 3779/4885
US-20140088095-A1 METHOD FOR TREATING PAIN, ANXIETY OR DEPRESSION USING CARBAMOYLOXY ALKANOYL PIPERAZINE COMPOUND HTR5A, OPRL1, HDAC3 ME2 2639/4885ME1 1912/4885ME3 2753/4885

“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.