SCHEMBL4401639

SCHEMBL4401639

CCOC(=O)CCCC1CCCCN1S(=O)(=O)c1c(C)cc(OC)cc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HTR7 P34969 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL639201 0.94 NPC1 (0.42) FKBP1ANPC1RAB9AALDH1A1KDM4E
SCHEMBL699956 0.92 NPC1 (0.44) FKBP1ANPC1RAB9AMEN1KMT2A
SCHEMBL698250 0.89 NPC1 (0.44) FKBP1ANPC1RAB9AHTR7TMEM97
SCHEMBL3442356 0.87 FKBP1A (0.44) FKBP1ANPC1RAB9AHTR7TMEM97
SCHEMBL4404580 0.86 PSEN1 (0.46) FKBP1ANPC1RAB9APSEN1PSEN2
SCHEMBL639859 0.85 NPC1 (0.42) FKBP1ANPC1RAB9APSEN1PSEN2
SCHEMBL639468 0.85 HTR7 (0.41) FKBP1ANPC1RAB9APSEN1PSEN2
SCHEMBL2753547 0.84 RAB9A (0.46) FKBP1ANPC1RAB9AHTR7TMEM97
SCHEMBL13649888 0.84 PSEN1 (0.53) NPC1RAB9APSEN1PSEN2APH1B
SCHEMBL10205747 0.83 NPC1 (0.41) FKBP1ANPC1RAB9APSEN1PSEN2

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-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 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 (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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN FKBP1A 3103/4885NPC1 1626/4885RAB9A 924/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A FKBP1A 855/4885NPC1 3302/4885RAB9A 948/4885

“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.