SCHEMBL4437206

SCHEMBL4437206

COC(C(=O)N1CCC(OCCCN2CCCCC2)(c2cccnc2)CC1)C1CCc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.35
CACNA1B Q00975 1/20 0.34
HTR1A P08908 5/20 0.33
DRD3 P35462 5/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 4/20 0.33
DRD4 P21917 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 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 0.99 HTR7 (0.35) HTR7CACNA1BHTR1ADRD3CHRM2
SCHEMBL4444561 0.96 CCR5 (0.34) HTR7SLC6A4KCNH2MEN1KMT2A
SCHEMBL4553417 0.95 DRD3 (0.35) HTR7HTR1ADRD3CHRM1SLC6A4
SCHEMBL4444921 0.95 CCR5 (0.34) HTR7SLC6A4KCNH2MEN1KMT2A
SCHEMBL4554297 0.91 CHRM1 (0.35) HTR7HTR1ADRD3CHRM1SLC6A4
SCHEMBL707959 0.88 CCR5 (0.37) HTR7HTR1ADRD3HTR2ADRD4
SCHEMBL707969 0.86 CCR5 (0.35) HTR7SLC6A4KCNH2MEN1KMT2A
SCHEMBL3446634 0.78 MEN1 (0.34) SLC6A4KCNH2MEN1KMT2AHSD11B1
SCHEMBL4444361 0.75 MEN1 (0.42) DRD3OPRM1HRH3GAAMEN1
SCHEMBL4430198 0.74 MEN1 (0.43) DRD3OPRM1HRH3GAAMEN1

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 HTR7 939/4885CACNA1B 776/4885HTR1A 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.