SCHEMBL4130873

SCHEMBL4130873

CN1CCN(C2(Cc3ccccc3)CCNC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
KCNH2 Q12809 3/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
MC4R P32245 1/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
CYP3A4 P08684 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
OPRM1 P35372 2/20 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
SCHEMBL4124999 0.93 KMT2A (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4278991 0.87 CYP2D6 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14279644 0.83 GAA (0.55) KMT2AGAARAD52MC4RSIGMAR1
SCHEMBL4132978 0.81 SIGMAR1 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL14279693 0.81 KMT2A (0.47) CYP2D6SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL14279749 0.80 TSHR (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL735929 0.77 KMT2A (0.43) KMT2AGAARAD52MC4RMEN1
SCHEMBL8776703 0.75 CYP2C9 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL31208861 0.74 SOS1 (0.32) TSHROPRM1
SCHEMBL734090 0.74 KMT2A (0.41) KMT2AGAARAD52MC4RTSHR

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-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP2D6 48/4885SLC6A2 1720/4885SLC6A4 986/4885

“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.