SCHEMBL15416458

SCHEMBL15416458

O=C(O)CC1CNCCN1c1ccn[c]n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
NOS2 P35228 2/20 0.35
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
IDO1 P14902 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31

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
SCHEMBL15416209 0.89 FPR2 (0.36) SLC6A4SLC6A3SLC6A2NOS2FPR2
SCHEMBL15415955 0.81 FPR2 (0.33) SLC6A4SLC6A3SLC6A2FPR2SCN9A
SCHEMBL15415695 0.81 FFAR1 (0.47)
SCHEMBL8983701 0.80 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2HTR2C
SCHEMBL15414948 0.80 FFAR1 (0.43) NOS2
SCHEMBL3611689 0.77 SLC6A2 (0.45) SLC6A4SLC6A3SLC6A2HTR2C
Hydrochloric Acid SCHEMBL10773342 0.77 PLD1 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL1851212 0.76 HTR2C (0.40) HTR2C
SCHEMBL15415018 0.76 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2ADRB1HTR2C
SCHEMBL15415103 0.74 SLC6A2 (0.36) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475820-B2 Substituted imidazo[1,2-a]pyrazines as TNF activity modulators UCB BIOPHARMA SPRL (BE) 2016-10-25 US disclosed
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2015-07-09 US disclosed
EP-2872511-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO 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-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA SLC6A4 3442/4885SLC6A3 4138/4885SLC6A2 4099/4885

“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.