SCHEMBL641000

SCHEMBL641000

CN1CCC(N2CCN(S(=O)(=O)CCCC3CCCN3S(=O)(=O)CC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
HTR7 P34969 4/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM1 P11229 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
DRD3 P35462 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL640999 1.00 KDM4E (0.41) KDM4EPOLBALDH1A1NPSR1MAPT
SCHEMBL639615 0.79 HTR7 (0.57) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL639616 0.79 HTR7 (0.57) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL10205616 0.76 HTR7 (0.56) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL640204 0.76 CCR1 (0.44) KDM4EPOLBALDH1A1HTR7SMN1; SMN2
SCHEMBL640203 0.76 CCR1 (0.44) KDM4EPOLBALDH1A1HTR7SMN1; SMN2
SCHEMBL639411 0.76 HTR7 (0.39) KDM4EPOLBALDH1A1HTR7SMN1; SMN2
SCHEMBL639412 0.76 HTR7 (0.39) KDM4EPOLBALDH1A1HTR7SMN1; SMN2
SCHEMBL10205644 0.76 EBP (0.48) KDM4EALDH1A1NPSR1HTR7HTR1A
Hydrochloric Acid SCHEMBL638957 0.76 HTR7 (0.55) HTR7HTR1ADRD2HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US claimed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US claimed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 KDM4E 3617/4885POLB 3390/4885ALDH1A1 1278/4885

“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.