SCHEMBL1338534

SCHEMBL1338534

CCOC(=O)CCN1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.50
HRH1 P35367 3/20 0.50
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
HRH3 Q9Y5N1 2/20 0.50
SLC6A2 P23975 2/20 0.50
CHRM1 P11229 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR7 P34969 3/20 0.48
POLB P06746 1/20 0.48
HTR1A P08908 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL13262681 0.85 DRD2 (0.45) HRH2HRH1HRH3MAPTALDH1A1
SCHEMBL11631677 0.84 MAPT (0.63) HRH2HRH1TMEM97SIGMAR1HRH3
SCHEMBL6005398 0.83 HTR1A (0.59) HRH2HRH1TMEM97SIGMAR1HRH3
SCHEMBL8386395 0.83 KCNA5 (0.57) HRH2HRH1HRH3MAPTALDH1A1
SCHEMBL5010667 0.83 HTR1A (0.61) HRH2HRH1TMEM97SIGMAR1HRH3
SCHEMBL31465015 0.82 PANK3 (0.48) HRH2HRH1HRH3HTR7HPGD
SCHEMBL21521672 0.82 PANK3 (0.48) HRH2HRH1HRH3HTR7HPGD
SCHEMBL23086717 0.82 ALDH1A1 (0.54) HRH2HRH1TMEM97SIGMAR1HRH3
SCHEMBL3157629 0.82 KMT2A (0.68) MAPTALDH1A1POLBHTR1AHTR2A
SCHEMBL6003242 0.82 KMT2A (0.54) HRH2HRH1TMEM97SIGMAR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
CN-102282144-A Oxadiazole derivatives as sphingosine-1-phosphate 1 receptor agonists 2011-12-14 CN disclosed
CN-102264731-A 1, 2, 4 -oxadiazole derivatives and their therapeutic use 2011-11-30 CN disclosed
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 HRH2 406/4885HRH1 484/4885TMEM97 41/4885
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 HRH2 375/4885HRH1 333/4885TMEM97 86/4885

“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.