SCHEMBL2625764

SCHEMBL2625764

CC(C)N1Cc2ccccc2CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TSHR P16473 2/20 0.35
NOTUM Q6P988 1/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
LMNA P02545 1/20 0.34
DAB2IP Q5VWQ8 1/20 0.34

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
SCHEMBL29516144 0.74 MAOA (0.43) KMT2AALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL8028903 0.74 MAOA (0.43) KMT2AALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL14682895 0.73 HTR2A (0.36) HRH3KCNH2ALDH1A1SMN1; SMN2MAOA
SCHEMBL2625754 0.71 NOTUM (0.41) KMT2AKCNH2ALDH1A1SMN1; SMN2TSHR
SCHEMBL19121549 0.70 HTR2A (0.34) KMT2AMEN1HRH3KCNH2TSHR
SCHEMBL1101990 0.68 MEN1 (0.55) KMT2AMEN1HRH3KCNH2ALDH1A1
SCHEMBL18733583 0.67 MAOA (0.50) KCNH2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL2625751 0.64 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2MAOA
SCHEMBL8707641 0.64 HTR1A (0.40) TSHRHTR1ADRD2HTR2CHTR7
SCHEMBL16088513 0.63 NOTUM (0.41) KMT2AMEN1ALDH1A1NOTUMALOX15

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 KMT2A 1777/4885MEN1 4592/4885HRH3 1017/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KMT2A 2855/4885MEN1 2498/4885HRH3 980/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KMT2A 1452/4885MEN1 4203/4885HRH3 1102/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 KMT2A 1129/4885MEN1 4701/4885HRH3 763/4885

“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.