SCHEMBL15416006

SCHEMBL15416006

O=C(c1[c]nccc1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
RXFP1 Q9HBX9 1/20 0.45
RIPK1 Q13546 1/20 0.41
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 1/20 0.38
REN P00797 2/20 0.38

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
SCHEMBL22683907 0.85 GNE (0.42) L3MBTL1HPGDKMT2A
SCHEMBL8823572 0.85 GNE (0.46) L3MBTL1HPGD
SCHEMBL4234752 0.83 HRH4 (0.47) RIPK1HRH4HRH3L3MBTL1KDM4E
SCHEMBL15416319 0.81 HPGD (0.44) L3MBTL1HPGDKMT2A
SCHEMBL4351967 0.81 SMN1; SMN2 (0.47) L3MBTL1HPGDPOLBKMT2A
SCHEMBL16585464 0.79 CYP2C9 (0.37) L3MBTL1HPGD
SCHEMBL3757735 0.77 RXFP1 (0.52) SIGMAR1MKNK1MKNK2RXFP1RIPK1
SCHEMBL15415537 0.77 DPP4 (0.40) KMT2A
SCHEMBL27829799 0.75 HRH4 (0.50) SIGMAR1MKNK1MKNK2RXFP1HRH4
SCHEMBL1566654 0.74 SIGMAR1 (0.57) SIGMAR1MKNK1MKNK2RXFP1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
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
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2872511-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 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 (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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA SIGMAR1 1429/4885MKNK1 1251/4885MKNK2 1816/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA SIGMAR1 1663/4885MKNK1 298/4885MKNK2 372/4885

“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.