SCHEMBL19008845

SCHEMBL19008845

CC(c1ccc(C(C)N(C)c2ccc(N(C)c3ccccc3)cc2)cc1)N(C)c1ccc(N(C)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.41
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
S1PR1 P21453 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CHKA P35790 1/20 0.37
KDM4C Q9H3R0 2/20 0.36
PTPN1 P18031 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL31175221 0.87 SLC6A2 (0.47) SLC6A2SLC6A4MEN1ALDH1A1KMT2A
SCHEMBL2232118 0.87 SLC6A2 (0.47) SLC6A2SLC6A4MEN1ALDH1A1KMT2A
SCHEMBL13333786 0.85 ALDH1A1 (0.45) NR3C2S1PR1MEN1S1PR4ALDH1A1
SCHEMBL32689850 0.81 NR3C2 (0.44) NR3C2S1PR1MEN1S1PR4ALDH1A1
SCHEMBL10162929 0.81 NR3C2 (0.44) NR3C2S1PR1MEN1S1PR4ALDH1A1
SCHEMBL17830829 0.80 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1LMNASMN1; SMN2
SCHEMBL17754486 0.79 NR3C2 (0.43) NR3C2SLC6A2SLC6A4S1PR1MEN1
SCHEMBL9659560 0.79 NR3C2 (0.46) NR3C2SLC6A2SLC6A4S1PR1MEN1
SCHEMBL7155149 0.78 NR3C2 (0.56) NR3C2S1PR1MEN1S1PR4ALDH1A1
SCHEMBL6543516 0.77 UGT2B7 (0.53) SLC6A2SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275237-A1 COMPOUNDS AND MIXTURES WITH ANTIDEGRADANT AND ANTIFATIGUE EFFICACY AND COMPOSITIONS INCLUDING SAID COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2017-09-28 US disclosed
US-20170275233-A1 METHODS OF MAKING COMPOUNDS AND MIXTURES HAVING ANTIDEGRADANT AND ANTIFATIGUE EFFICACY EASTMAN CHEMICAL COMPANY (US) 2017-09-28 US disclosed
US-20170275238-A1 METHODS OF MAKING COMPOUNDS AND MIXTURES HAVING ANTIDEGRADANT AND ANTIFATIGUE EFFICACY EASTMAN CHEMICAL COMPANY (US) 2017-09-28 US disclosed
US-20170275234-A1 METHODS OF MAKING COMPOUNDS HAVING ANTIDEGRADANT AND ANTIFATIGUE EFFICACY EASTMAN CHEMICAL COMPANY (US) 2017-09-28 US disclosed
US-20170174615-A1 COMPOUNDS WITH ANTIDEGRADANT AND ANTIFATIGUE EFFICACY AND COMPOSITIONS INCLUDING SAID COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2017-06-22 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 (5 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-20170275237-A1 COMPOUNDS AND MIXTURES WITH ANTIDEGRADANT AND ANTIFATIGUE EFFICACY AND COMPOSITIONS INCLUDING SAID COMPOUNDS ACHE, CCNE2, CHRM1 NR3C2 629/4885SLC6A2 2412/4885SLC6A4 1773/4885
US-20170275234-A1 METHODS OF MAKING COMPOUNDS HAVING ANTIDEGRADANT AND ANTIFATIGUE EFFICACY ACHE, HNMT, PNMT NR3C2 1701/4885SLC6A2 352/4885SLC6A4 405/4885
US-20170275238-A1 METHODS OF MAKING COMPOUNDS AND MIXTURES HAVING ANTIDEGRADANT AND ANTIFATIGUE EFFICACY ACHE, BCHE, DDO NR3C2 1959/4885SLC6A2 314/4885SLC6A4 370/4885
US-20170174615-A1 COMPOUNDS WITH ANTIDEGRADANT AND ANTIFATIGUE EFFICACY AND COMPOSITIONS INCLUDING SAID COMPOUNDS ACHE, HDAC3, PON1 NR3C2 730/4885SLC6A2 2543/4885SLC6A4 2037/4885
US-20170275233-A1 METHODS OF MAKING COMPOUNDS AND MIXTURES HAVING ANTIDEGRADANT AND ANTIFATIGUE EFFICACY ACHE, DDO, BCHE NR3C2 2433/4885SLC6A2 475/4885SLC6A4 422/4885

“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.