SCHEMBL4154207

SCHEMBL4154207

[CH](c1ccccn1)C1CNCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
IKBKB O14920 1/20 0.39
RAF1 P04049 1/20 0.39
RPS6KB1 P23443 1/20 0.39
MAPK1 P28482 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
KDR P35968 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PRKAG1 P54619 1/20 0.39
MAP2K1 Q02750 1/20 0.39
PRDX1 Q06830 1/20 0.39
PRKAA1 Q13131 1/20 0.39
MAPK14 Q16539 1/20 0.39
NEK1 Q96PY6 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL948361 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL18304976 0.72 SLC6A2 (0.35) MEN1KMT2AMAPK1SLC6A2SLC6A4
SCHEMBL30711689 0.70 DRD2 (0.45) DRD2DRD3
SCHEMBL22325 0.70 DRD2 (0.45) DRD2DRD3
SCHEMBL8487174 0.69 NPC1 (0.47) MEN1NPC1RAB9AKMT2AATM
Hydrochloric Acid SCHEMBL8155047 0.69
SCHEMBL31116712 0.68 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL31116801 0.68 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL31116723 0.68 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL11578336 0.67 MAPT (0.42) MEN1RAB9AKMT2ASLC6A2SLC6A4

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 10 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO disclosed
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 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 (3 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 MEN1 3836/4885NPC1 3216/4885RAB9A 1951/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 MEN1 4119/4885NPC1 881/4885RAB9A 2246/4885
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 MEN1 3953/4885NPC1 1625/4885RAB9A 1138/4885

“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.