SCHEMBL4750776

SCHEMBL4750776

OC(COc1ccccc1)CN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.75
L3MBTL1 Q9Y468 2/20 0.72
MAPT P10636 4/20 0.67
KDM4E B2RXH2 3/20 0.67
MAPK1 P28482 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HTT P42858 3/20 0.67
ALDH1A1 P00352 3/20 0.67
TSHR P16473 2/20 0.67
USP2 O75604 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KMT2A Q03164 3/20 0.66
CYP2D6 P10635 1/20 0.64
HIF1A Q16665 1/20 0.64
MEN1 O00255 2/20 0.63
ABCB1 P08183 4/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.58
TDP1 Q9NUW8 1/20 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
SCHEMBL30001672 1.00 HTR7 (0.75) HTR7L3MBTL1MAPTKDM4EMAPK1
SCHEMBL2021898 0.91 HTR7 (0.74) HTR7L3MBTL1MAPTKDM4EMAPK1
SCHEMBL2021902 0.91 HTR7 (0.74) HTR7L3MBTL1MAPTKDM4EMAPK1
SCHEMBL2021899 0.91 HTR7 (0.74) HTR7L3MBTL1MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL11811848 0.89 HTR7 (0.71) HTR7L3MBTL1MAPTKDM4EMAPK1
SCHEMBL10485606 0.87 HTR1A (0.63) HTR7L3MBTL1MAPTKDM4EMAPK1
SCHEMBL3970369 0.86 L3MBTL1 (0.97) L3MBTL1MAPTKDM4EHTTALDH1A1
SCHEMBL11240406 0.86 L3MBTL1 (0.97) L3MBTL1MAPTKDM4EHTTALDH1A1
SCHEMBL4577971 0.86 L3MBTL1 (0.97) L3MBTL1MAPTKDM4EHTTALDH1A1
SCHEMBL31536961 0.85 HTR7 (0.66) HTR7MAPTKDM4EMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO claimed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 WO disclosed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO 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-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 HTR7 49/4885L3MBTL1 4529/4885MAPT 3386/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A HTR7 27/4885L3MBTL1 4391/4885MAPT 3208/4885

“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.