SCHEMBL3045705

SCHEMBL3045705

CCCC1CN=C(OC)C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.55
NOS1 P29475 3/20 0.55
NOS2 P35228 3/20 0.55
FYN P06241 1/20 0.33

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
SCHEMBL7621830 0.83
SCHEMBL8468939 0.81 NOS3 (0.39) NOS3NOS1NOS2FYN
SCHEMBL7592097 0.71
SCHEMBL13925910 0.71
SCHEMBL11667806 0.71 NOS1 (0.41) NOS3NOS1NOS2
SCHEMBL7627716 0.68 NOS3 (0.55) NOS3NOS1NOS2
SCHEMBL7626826 0.68 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL26261470 0.67 NOS3 (0.53) NOS3NOS1NOS2FYN
SCHEMBL23544441 0.65 NOS3 (0.46) NOS3NOS1NOS2FYN
SCHEMBL2337592 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-27 US disclosed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
US-7476688-B2 Cyclic amidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-13 US disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
US-20040254376-A1 Cyclic amidine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-16 US disclosed
EP-1386912-A1 CYCLIC AMIDINE DERIVATIVE Eisai Co., Ltd. (JP) 2004-02-04 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 (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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 NOS3 3559/4885NOS1 4164/4885NOS2 3743/4885
US-20040254376-A1 Cyclic amidine derivative ARGLU1, ARG1, PRMT1 NOS3 423/4885NOS1 280/4885NOS2 690/4885
US-20090215795-A1 CYCLIC AMIDINE DERIVATIVES H1-10, H1-3, H1-4 NOS3 95/4885NOS1 143/4885NOS2 207/4885

“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.