SCHEMBL1900359

SCHEMBL1900359

CCCCNC(=O)CN1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.67
CHRM5 P08912 2/20 0.54
CHRM3 P20309 2/20 0.54
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
GNAI3 P08754 2/20 0.45
GNAO1 P09471 2/20 0.45
GNAI1 P63096 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.41
CASP2 P42575 1/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8395095 0.98 SIGMAR1 (0.65) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL10687011 0.95 SIGMAR1 (0.65) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL7862964 0.92 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1GNAI3
SCHEMBL1905216 0.90 SIGMAR1 (0.71) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL6897984 0.88 ALDH1A1 (0.57) SIGMAR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28391170 0.85 SIGMAR1 (0.64) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL6897980 0.83 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL2875261 0.83 ALDH1A1 (0.72) SIGMAR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4711520 0.82 SIGMAR1 (0.65) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2
SCHEMBL13032706 0.81 ALDH1A1 (0.50) SIGMAR1ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58201774-A None JP disclosed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP disclosed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP disclosed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO disclosed
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US disclosed
JP-S58201774-A 1-AMINOCARBONYLMETHYL-SUBSTITUTED PIPERAZINE DERIVATIVE HOKURIKU SEIYAKU CO LTD 1983-11-24 JP 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 (1 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-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 SIGMAR1 118/4885CHRM5 1255/4885CHRM3 1452/4885

“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.