SCHEMBL2632862

SCHEMBL2632862

CC(C)C1(C)CCNc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
PDK2 Q15119 2/20 0.35
PDK4 Q16654 1/20 0.35
MAPK1 P28482 1/20 0.34
BACE1 P56817 1/20 0.33
HTR5A P47898 2/20 0.33
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
KIF11 P52732 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE7A Q13946 1/20 0.30

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
SCHEMBL21316463 1.00 KDM1A (0.47) KDM1APDK2PDK4MAPK1BACE1
SCHEMBL26295503 0.81 PDK2 (0.37) KDM1APDK2PDK4MAPK1BACE1
SCHEMBL13147381 0.80 KDM1A (0.49) KDM1APDK2PDK4MAPK1BACE1
SCHEMBL397152 0.77 KDM1A (0.53) KDM1APDK2PDK4BACE1HTR5A
SCHEMBL30993810 0.77 KDM1A (0.53) KDM1APDK2PDK4BACE1HTR5A
SCHEMBL25496611 0.77 HPGD (0.39) KDM1APDK2MAPK1RARARARB
SCHEMBL22875350 0.75 KDM1A (0.44) KDM1AMAPK1BACE1ALDH1A1
SCHEMBL24124815 0.74 KDM1A (0.50) KDM1APDK2PDK4MAPK1BACE1
Hydrochloric Acid SCHEMBL15557235 0.72 KDM1A (0.42) KDM1APDK2MAPK1KIF11MEN1
SCHEMBL25012060 0.72 PDK2 (0.31) PDK2PDK4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KDM1A 1668/4885PDK2 1563/4885PDK4 1645/4885

“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.