SCHEMBL4464843

SCHEMBL4464843

O=C(O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
RECQL P46063 1/20 0.59
CHRM4 P08173 1/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MBTD1 Q05BQ5 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CCR5 P51681 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL3599380 0.94 ACHE (0.69) ACHESMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL641232 0.92 ACHE (0.56) ACHESMN1; SMN2RECQLCHRM4KDM4E
SCHEMBL639999 0.92 ACHE (0.56) ACHESMN1; SMN2RECQLCHRM4KDM4E
SCHEMBL640904 0.92 ACHE (0.56) ACHESMN1; SMN2RECQLCHRM4KDM4E
SCHEMBL642022 0.87 SIGMAR1 (0.55) ACHESMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL3709310 0.86 RECQL (0.70) ACHESMN1; SMN2RECQLKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3706762 0.84 RECQL (0.68) ACHESMN1; SMN2RECQLKDM4EALDH1A1
SCHEMBL2850013 0.84 ALDH1A1 (0.70) SMN1; SMN2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4797625 0.84 SIGMAR1 (0.69) ACHESMN1; SMN2RECQLTSHR
SCHEMBL4467334 0.84 SMN1; SMN2 (0.61) ACHESMN1; SMN2RECQLCHRM4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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 (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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R ACHE 188/4885SMN1; SMN2 1897/4885RECQL 733/4885

“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.