SCHEMBL2632947

SCHEMBL2632947

CCCN1c2ccccc2CC1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 4/20 0.46
MAPK1 P28482 1/20 0.46
MTNR1A P48039 1/20 0.45
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL11995384 1.00 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11347484 0.90 PKM (0.51) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL8366931 0.85 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11346041 0.84 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11351138 0.84 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL16685211 0.84 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11354691 0.84 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3NOTUM
Hydrochloric Acid SCHEMBL5367455 0.84 CHRM2 (0.57) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11349999 0.81 ALDH1A1 (0.60) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11344406 0.81 ALDH1A1 (0.44) CHRM2CHRM4CHRM1CHRM3NOTUM

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
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US 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-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 CHRM2 1736/4885CHRM4 1532/4885CHRM1 2843/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 CHRM2 1906/4885CHRM4 1728/4885CHRM1 3255/4885

“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.