SCHEMBL2632874

SCHEMBL2632874

CCC(C)N1c2ccccc2CC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 6/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
HTR2A P28223 3/20 0.40

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
SCHEMBL13831608 0.82 NOTUM (0.50) NOTUMALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL7674419 0.82 NOTUM (0.50) NOTUMALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL13831594 0.82 NOTUM (0.50) NOTUMALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL11348353 0.82 NOTUM (0.47) NOTUMALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL23084530 0.80 ALDH1A1 (0.37) ALDH1A1CYP2D6
SCHEMBL19235053 0.80 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL11354688 0.79 NOTUM (0.47) NOTUMALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL11346039 0.79 NOTUM (0.51) NOTUMALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL19120875 0.79 NOTUM (0.47) NOTUMALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL11351137 0.79 NOTUM (0.47) NOTUMALDH1A1NPSR1LMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
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
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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 (2 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 NOTUM 3081/4885ALDH1A1 1645/4885NPSR1 1306/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NOTUM 2423/4885ALDH1A1 2531/4885NPSR1 671/4885

“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.