SCHEMBL1279809

SCHEMBL1279809

CCN(CC)CCSCN(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.44
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL1280078 0.90 BHMT (0.39) BHMTMAPTALDH1A1ALDH2CHRM2
SCHEMBL1280281 0.83 BHMT (0.47) BHMTALDH1A1ALDH2CHRM2TDP1
SCHEMBL1280629 0.76 HSD17B10 (0.53) BHMTMAPTALDH1A1TDP1ALOX15
SCHEMBL1280200 0.76 BHMT (0.44) BHMTTDP1EYA2APPACE
SCHEMBL16608921 0.75 HSD17B10 (0.56) MAPTALDH1A1TDP1APPALOX15
SCHEMBL890300 0.75 MAPT (0.50) BHMTMAPTALDH1A1ALDH2CHRM2
SCHEMBL6207947 0.74 MAPT (0.38) BHMTMAPTALDH1A1ALDH2CHRM2
SCHEMBL22766987 0.71 TDP1 (0.54) BHMTALDH1A1CHRM2TDP1EYA2
SCHEMBL29319565 0.69 TDP1 (0.52) BHMTCHRM2TDP1EYA2APP
SCHEMBL18401328 0.69 TDP1 (0.56) BHMTALDH1A1CHRM2TDP1EYA2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10065992-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2018-09-04 US claimed
EP-2627664-B1 CYCLOSPORIN ANALOGS ALLERGAN INC (US) 2018-04-04 EP claimed
EP-2855508-B1 CYCLOSPORIN A ANALOGS ALLERGAN INC (US) 2018-02-14 EP claimed
US-20170029469-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. 2017-02-02 US claimed
US-9493511-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2016-11-15 US claimed
US-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US claimed
US-20160039880-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2016-02-11 US claimed
EP-2855508-A2 CYCLOSPORIN A ANALOGS ALLERGAN, INC. (US) 2015-04-08 EP claimed
US-20150065433-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2015-03-05 US claimed
WO-2013181339-A2 CYCLOSPORIN A ANALOGS ALLERGAN, INC. (US) 2013-12-05 WO claimed
US-20130324480-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2013-12-05 US claimed
EP-2627664-A1 CYCLOSPORIN ANALOGS Allergan, Inc. (US) 2013-08-21 EP claimed
WO-2012051194-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2012-04-19 WO claimed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 US claimed
US-10065992-B2 Cyclosporin analogs ALLERGAN, INC. (US) 2018-09-04 US disclosed
EP-2627664-B1 CYCLOSPORIN ANALOGS ALLERGAN INC (US) 2018-04-04 EP disclosed
EP-2855508-B1 CYCLOSPORIN A ANALOGS ALLERGAN INC (US) 2018-02-14 EP disclosed
EP-2627664-A1 CYCLOSPORIN ANALOGS Allergan, Inc. (US) 2013-08-21 EP disclosed
WO-2012051194-A1 CYCLOSPORIN ANALOGS ALLERGAN, INC. (US) 2012-04-19 WO disclosed
US-20120088734-A1 Cyclosporin Analogs ALLERGAN, INC. (US) 2012-04-12 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 (6 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-20160039880-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 BHMT 3124/4885MAPT 3620/4885ALDH1A1 3905/4885
US-20150065433-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 BHMT 3906/4885MAPT 3665/4885ALDH1A1 4113/4885
US-10065992-B2 Cyclosporin analogs CHP1, TSLP, PPP3R1 BHMT 3906/4885MAPT 3665/4885ALDH1A1 4113/4885
US-20120088734-A1 Cyclosporin Analogs CHP1, TSLP, PPP3R1 BHMT 3906/4885MAPT 3665/4885ALDH1A1 4113/4885
US-20170029469-A1 CYCLOSPORIN ANALOGS CHP1, TSLP, PPP3R1 BHMT 3906/4885MAPT 3665/4885ALDH1A1 4113/4885
US-20130324480-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 BHMT 3124/4885MAPT 3620/4885ALDH1A1 3905/4885

“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.