SCHEMBL15415971

SCHEMBL15415971

O=C(Nc1ccn[c]n1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
NPC1 O15118 6/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.42
TGM2 P21980 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL419949 0.73 NR3C2 (0.37) NPC1KMT2AALDH1A1MEN1MAPT
SCHEMBL1962212 0.72 FAAH (0.54) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21995039 0.71 KDM1A (0.34)
SCHEMBL3258353 0.71 TRPV1 (0.60) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4982044 0.70 SMN1; SMN2 (0.39) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21994290 0.70 KDM1A (0.37)
SCHEMBL16585513 0.70 TRPV1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL17620813 0.70 FAAH (0.55)
SCHEMBL9627157 0.70 TRPV1 (0.51) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16913895 0.68 RAB9A (0.53) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2

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 RAB9A 1951/4885NPC1 3216/4885KMT2A 3732/4885
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA RAB9A 1510/4885NPC1 3765/4885KMT2A 3823/4885

“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.