SCHEMBL1690649

SCHEMBL1690649

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(-c4ccc(C(F)(F)F)cc4)ccc3O)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
WNT3A P56704 2/20 0.46
ITGB2 P05107 4/20 0.45
ICAM1 P05362 4/20 0.45
ITGAL P20701 4/20 0.45
RET P07949 2/20 0.44
MAPT P10636 2/20 0.44
P2RY14 Q15391 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL322676 0.86 SLC6A7 (0.45) ITGB2ICAM1ITGALMAPT
SCHEMBL10185799 0.84 ALK (0.48) LRRK2WNT3AITGB2ICAM1ITGAL
SCHEMBL9924610 0.84 SMARCA2 (0.46) LRRK2WNT3ARETGPR119SMARCA2
SCHEMBL1094651 0.84 SMARCA2 (0.46) LRRK2WNT3ARETGPR119SMARCA2
SCHEMBL26127089 0.81 HRH3 (0.60) LRRK2MAPTGPR119CKS1BSKP1
SCHEMBL29157436 0.80 LRRK2 (0.54) LRRK2WNT3ARETGPR119CKS1B
SCHEMBL3443191 0.80 CKS1B (0.64) LRRK2WNT3AITGB2ICAM1ITGAL
SCHEMBL31605471 0.78 HPGD (0.61) WNT3ARETMAPTGPR119CKS1B
SCHEMBL3267623 0.77 FAAH (0.60) LRRK2WNT3ARETGPR119CKS1B
SCHEMBL15228419 0.76 GPR119 (0.56) LRRK2MAPTGPR119SMARCA2SMARCA4

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-20170275275-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER (US) 2017-09-28 US disclosed
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E LRRK2 4046/4885WNT3A 1858/4885ITGB2 3340/4885
US-20170275275-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN2B LRRK2 3960/4885WNT3A 1640/4885ITGB2 4450/4885

“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.