SCHEMBL3554730

SCHEMBL3554730

CC(=O)NCCN1CCC[N]CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6485089 0.93 NPSR1 (0.45) NPC1CA12CA1CA2CA9
SCHEMBL84810 0.84 NPC1 (0.61) NPC1CA12CA1CA2CA9
SCHEMBL18361885 0.84 NPC1 (0.56) NPC1CA12CA1CA2CA9
SCHEMBL8139355 0.82 NPC1 (0.64) NPC1CA12CA1CA2CA9
SCHEMBL84855 0.82 NPC1 (0.64) NPC1CA12CA1CA2CA9
SCHEMBL13306274 0.80
SCHEMBL4781902 0.80 NPSR1 (0.60) NPC1CA12CA1CA2CA9
SCHEMBL2910905 0.77 CARM1 (0.65) ALDH1A1KDM4ECARM1PRMT6PRMT8
SCHEMBL18850985 0.76 HDAC2 (0.49) NPC1CA12CA1CA2CA9
SCHEMBL7509232 0.76 KMT2A (0.45) NPC1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR NPC1 440/4885CA12 3526/4885CA1 2325/4885
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 NPC1 4193/4885CA12 4864/4885CA1 4803/4885

“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.