SCHEMBL4553417

SCHEMBL4553417

COC(C(=O)N1CCC(OCCCN2CCN(C)CC2)(c2cccnc2)CC1)C1CCc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.35
HTR2A P28223 5/20 0.35
HTR1A P08908 4/20 0.35
DRD2 P14416 3/20 0.34
HTR2C P28335 2/20 0.34
HTR7 P34969 2/20 0.34
CHRM1 P11229 1/20 0.34
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD4 P21917 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NPY1R P25929 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4441082 0.96 HTR7 (0.35) DRD3HTR2AHTR1ADRD2HTR2C
SCHEMBL4554297 0.96 CHRM1 (0.35) DRD3HTR2AHTR1ADRD2HTR2C
SCHEMBL4437206 0.95 HTR7 (0.35) DRD3HTR2AHTR1ADRD2HTR2C
SCHEMBL4444921 0.91 CCR5 (0.34) HTR7MEN1KMT2AITGA4ITGB7
SCHEMBL4444561 0.91 CCR5 (0.34) HTR7MEN1KMT2AITGA4ITGB7
SCHEMBL707959 0.84 CCR5 (0.37) DRD3HTR2AHTR1ADRD2HTR2C
SCHEMBL707969 0.82 CCR5 (0.35) HTR7MEN1KMT2AITGA4ITGB7
SCHEMBL3446634 0.79 MEN1 (0.34) MEN1KMT2AITGA4ITGB7LMNA
SCHEMBL4274132 0.76 MC4R (0.37) DRD3HTR2AHTR1AHTR2CCHRM1
SCHEMBL4438944 0.75 HRH3 (0.43) DRD3DRD2MCHR1MEN1KMT2A

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 DRD3 3242/4885HTR2A 683/4885HTR1A 372/4885

“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.