SCHEMBL4287232

SCHEMBL4287232

COC(C(=O)N1CCC(c2ccccc2)(N2CCN(c3ccncc3)CC2)CC1)C1CCCCN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 4/20 0.39
DHFR P00374 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4280544 0.87 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4276590 0.83 DRD3 (0.36) ALDH1A1TSHRHIF1ACYP2D6CYP2C9
SCHEMBL4276599 0.72 CYP2C9 (0.49) ALDH1A1TSHRHIF1ACYP2D6CYP2C9
SCHEMBL4283420 0.71 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4278623 0.70 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4274132 0.70 MC4R (0.37) SLC6A4TSHR
SCHEMBL4280008 0.69 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4287361 0.69 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL4120390 0.69 ADRB2 (0.53) SLC6A3SLC6A2SLC6A4ALDH1A1TSHR
SCHEMBL7055946 0.61 NPY1R (0.53) TSHRCYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A3 1698/4885SLC6A2 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.