SCHEMBL2625754

SCHEMBL2625754

CC(C)N1c2ccccc2CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 3/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 2/20 0.35
DAB2IP Q5VWQ8 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
OPRM1 P35372 2/20 0.33
MAPT P10636 2/20 0.33
SLC22A1 O15245 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL2625758 0.81 NOTUM (0.39) NOTUMALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL1655895 0.75 NOTUM (0.43) NOTUMALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL2123225 0.73 NOTUM (0.42) NOTUMALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL2625757 0.72 NOTUM (0.38) NOTUMALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL2625764 0.71 KMT2A (0.37) NOTUMALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL29882169 0.71 NOTUM (0.40) NOTUMALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL15187601 0.69 NOTUM (0.42) NOTUMALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL17169810 0.69 ABCG2 (0.37) NOTUMSMN1; SMN2LMNACHRM2CHRM1
SCHEMBL5733226 0.68 MEN1 (0.51) NOTUMSMN1; SMN2TSHRKMT2ADRD2
SCHEMBL15187621 0.67 KDM4E (0.38) NOTUMALDH1A1SMN1; SMN2TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
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-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 (4 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 NOTUM 1926/4885ALDH1A1 2795/4885SMN1; SMN2 398/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 NOTUM 3081/4885ALDH1A1 1645/4885SMN1; SMN2 1123/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 NOTUM 2423/4885ALDH1A1 2531/4885SMN1; SMN2 600/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 NOTUM 2777/4885ALDH1A1 2251/4885SMN1; SMN2 572/4885

“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.