SCHEMBL4112299

SCHEMBL4112299

NCC1CCC(Cc2ccccc2)(N2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CB P42338 1/20 0.35
NCF1 P14598 1/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35

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
SCHEMBL4118768 0.86 TSHR (0.38) TSHRPOLBSIGMAR1LMNAMAOA
SCHEMBL3412905 0.84 GAA (0.46) SIGMAR1MAOAMAOBGAAKMT2A
SCHEMBL4125739 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SIGMAR1SMN1; SMN2
SCHEMBL3924844 0.76 POLB (0.39) TSHRPOLBSIGMAR1LMNAMAOA
SCHEMBL3927554 0.76 THRB (0.40) POLBSIGMAR1LMNASMN1; SMN2NPSR1
SCHEMBL4130743 0.73 MAOA (0.41) TSHRSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL296400 0.72 MAOA (0.43) MAOAMAOBOPRL1
SCHEMBL4125387 0.71 SIGMAR1 (0.41) TSHRSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL2989331 0.71 SIGMAR1 (0.41) TSHRSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL207001 0.70 FKBP1A (0.49) POLBSMN1; SMN2GAAFKBP1A

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
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

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 TSHR 3282/4885SLC6A2 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.