SCHEMBL3409681

SCHEMBL3409681

O=C1CCC(CCc2ccccc2)(N2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 7/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 2/20 0.38
BACE1 P56817 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL3216979 0.84 MEN1 (0.41) SLC6A3SIGMAR1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL10841191 0.73 SIGMAR1 (0.44) SLC6A3SIGMAR1MEN1KMT2A
SCHEMBL27839716 0.73 SIGMAR1 (0.46) SLC6A3SIGMAR1MEN1KMT2ACYP2C9
SCHEMBL4112400 0.72 CARM1 (0.40) SLC6A3SIGMAR1NPC1L3MBTL1GAA
SCHEMBL8023946 0.72 OPRM1 (0.54) TDP1L3MBTL1MEN1KMT2ACYP2C9
SCHEMBL735929 0.72 KMT2A (0.43) SIGMAR1MEN1KMT2ACYP2C9BACE1
SCHEMBL3927554 0.72 THRB (0.40) SIGMAR1L3MBTL1MEN1KMT2ACYP2C9
Hydrochloric Acid SCHEMBL27820189 0.72 SIGMAR1 (0.45) SLC6A3SIGMAR1MEN1KMT2ACYP2C9
SCHEMBL733522 0.71 SLC6A5 (0.32) L3MBTL1
SCHEMBL4130314 0.71 CARM1 (0.50) SIGMAR1NPC1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP 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 SLC6A3 1698/4885SIGMAR1 1349/4885NPC1 2399/4885

“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.